| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37 | Very low | 32 | Very low | 240 Ų | 240 | 159.6 Ų | 159.6 | 100% | 1.182 | 87% | 0.867 | S | S | * | * | 0 | 87.5 | 0 | -71 | 171.8 | -175 | 0 | 0 | 106.2 | |||||
| 2 | A | 29.1 | Very low | 32.1 | Very low | 103 Ų | 103 | 154 Ų | 154 | 85% | 0.851 | 85% | 0.848 | S | S | * | * | cis | 59.9 | 91.3 | 43.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | S | 30.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | trans | -165.9 | 87.1 | 151.4 | 54.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | S | 31.6 | Very low | 32 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | 77.9 | 90.9 | 83.7 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 5 | W | 29.3 | Very low | 31.9 | Very low | 248 Ų | 248 | 149.9 Ų | 149.9 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 139.4 | 159.2 | -65.8 | 88.2 | 0 | 0 | 0 | 109.7 | ||
| 6 | P | 39.6 | Very low | 32.1 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 141.5 | 161.9 | 31 | -25.9 | 0 | 0 | 0 | 110.6 | ||
| 7 | P | 40.2 | Very low | 32.2 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 139.1 | 169.9 | 34.9 | -27.5 | 0 | 0 | 0 | 109.7 | ||
| 8 | L | 29.1 | Very low | 32.4 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | -146 | 119.4 | 159.8 | -101 | 157.3 | 0 | 0 | 0 | 109.4 | ||||
| 9 | E | 29.5 | Very low | 32.3 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 147.8 | -175.2 | -70.4 | -173 | 135.3 | 0 | 0 | 113.5 | ||||
| 10 | L | 28.7 | Very low | 32.4 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | 49 | 106.9 | 138.1 | -133.1 | 79.3 | 0 | 0 | 0 | 119.8 | ||||
| 11 | Q | 27.5 | Very low | 32.6 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -126.3 | 106.4 | 137.2 | -158.7 | 117.3 | -6.2 | 0 | 0 | 109 | S13 | Q11-S13 PolarHBondContact O-N 3.45Å; Q11-S13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | S | 33.4 | Very low | 32.7 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -60.2 | 102.6 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | N14 | S12-N14 PolarHBondContact O-N 3.21Š| ||
| 13 | S | 29.1 | Very low | 33.5 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -86.3 | 92.8 | 160.2 | -167.9 | 0 | 0 | 0 | 0 | 108.1 | Q11 Q15 | Q11-S13 PolarHBondContact O-N 3.45Å; Q11-S13 VanDerWaalsContact O-N 3.12Å; S13-Q15 PolarHBondContact O-N 3.01Å | ||
| 14 | N | 33 | Very low | 34.4 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -56.2 | 90.6 | 160.1 | -90.6 | -18 | 0 | 0 | 0 | 108.7 | S12 | S12-N14 PolarHBondContact O-N 3.21Š| ||
| 15 | Q | 31 | Very low | 35.1 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | trans | -110.7 | 78.2 | 155.2 | -101.7 | 177.4 | -22.5 | 0 | 0 | 107.5 | S13 Q17 | S13-Q15 PolarHBondContact O-N 3.01Å; Q15-Q17 PolarHBondContact O-N 3.42Å | ||
| 16 | S | 34.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -58.3 | 76.1 | 147.7 | 33.5 | 0 | 0 | 0 | 0 | 108.3 | L18 | S16-L18 PolarHBondContact O-N 2.96Š| ||
| 17 | Q | 34.5 | Very low | 37.5 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -68.2 | 92.9 | 155.2 | -78.4 | -163.9 | -24.2 | 0 | 0 | 106 | Q15 F19 | Q15-Q17 PolarHBondContact O-N 3.42Å; Q17-F19 VanDerWaalsContact C-N 3.3Å; Q17-F19 PolarHBondContact O-N 3.46Å | ||
| 18 | L | 35.3 | Very low | 38.4 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | -48.1 | 101.9 | 158 | -102.3 | 107.9 | 0 | 0 | 0 | 107 | S16 | S16-L18 PolarHBondContact O-N 2.96Š| ||
| 19 | F | 31.6 | Very low | 40 | Very low | 177 Ų | 177 | 125.6 Ų | 125.6 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | trans | -55.5 | 127.9 | 155.1 | -76.9 | -87.2 | 0 | 0 | 0 | 106.3 | Q17 Q21 | Q17-F19 VanDerWaalsContact C-N 3.3Å; Q17-F19 PolarHBondContact O-N 3.46Å; F19-Q21 PolarHBondContact O-N 3.46Å | ||
| 20 | P | 33.1 | Very low | 41.7 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | -58.6 | 120.4 | 174.2 | 22.3 | -29.3 | 0 | 0 | 0 | 108 | N22 | P20-N22 PolarHBondContact O-N 2.85Š| ||
| 21 | Q | 38 | Very low | 43.9 | Very low | 183 Ų | 183 | 120.7 Ų | 120.7 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -67.1 | 41.5 | 171.9 | -76.8 | -177.6 | -39.9 | 0 | 0 | 112.4 | F19 | F19-Q21 PolarHBondContact O-N 3.46Š|
| 22 | N | 39 | Very low | 46.3 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 83% | 0.829 | 65% | 0.647 | S | S | * | * | trans | -114.7 | 38.7 | 173.5 | -79 | -0.9 | 0 | 0 | 0 | 110.9 | P20 | P20-N22 PolarHBondContact O-N 2.85Š| ||
| 23 | A | 44.5 | Very low | 48.5 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -89.9 | 101.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | A25 | A23-A25 PolarHBondContact O-N 3.34Š|
| 24 | T | 49.4 | Very low | 50.9 | Low | 110 Ų | 110 | 110.8 Ų | 110.8 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | trans | -45.1 | 112.6 | 164.9 | 35.4 | 0 | 0 | 0 | 0 | 108 | C26 | T24-C26 PolarHBondContact O-N 3.33Š| ||
| 25 | A | 47 | Very low | 53.3 | Low | 68 Ų | 68 | 109.2 Ų | 109.2 | 56% | 0.562 | 61% | 0.605 | S | S | * | * | trans | -57 | 127.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109 | A23 D27 | A23-A25 PolarHBondContact O-N 3.34Å; A25-D27 VanDerWaalsContact CB-OD2 3.3Å; A25-D27 WeakPolarHBondContact CB-OD2 3.49Å; A25-D27 PolarHBondContact O-N 3.1Å | ||
| 26 | C | 60.1 | Low | 55.8 | Low | 40 Ų | 40 | 102.7 Ų | 102.7 | 27% | 0.27 | 58% | 0.575 | S | S | . | * | trans | -75.4 | 43.1 | 178.5 | -71.8 | 0 | 0 | 0 | 0 | 110.6 | T24 C285 | T24-C26 PolarHBondContact O-N 3.33Å; C26-C285 HydrophobicContact CB-CB 4.14Å; C26-C285 WeakPolarHBondContact CB-SG 3.42Å; C26-C285 WeakPolarHBondContact SG-CB 3.23Å; C26-C285 CovalentContact SG-SG 2.08Å; C26-C285 PolarHBondContact SG-SG 3.44Å | ||
| 27 | D | 60.1 | Low | 58.2 | Low | 127 Ų | 127 | 99 Ų | 99 | 68% | 0.679 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.4 | -170.4 | -70.2 | -20.2 | 0 | 0 | 0 | 113.5 | A25 P30 | A25-D27 VanDerWaalsContact CB-OD2 3.3Å; A25-D27 WeakPolarHBondContact CB-OD2 3.49Å; A25-D27 PolarHBondContact O-N 3.1Å; D27-P30 WeakPolarHBondContact O-CD 3.47Å |
| 28 | N | 58.5 | Low | 60.6 | Low | 138 Ų | 138 | 100.3 Ų | 100.3 | 74% | 0.738 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.6 | -179.9 | -64.7 | -22.9 | 0 | 0 | 0 | 113.9 | P30 | N28-P30 VanDerWaalsContact C-CD 3.45Š|
| 29 | A | 61.7 | Low | 63.1 | Low | 24 Ų | 24 | 97.2 Ų | 97.2 | 20% | 0.198 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E31 A32 W33 | A29-E31 PolarHBondContact O-N 2.83Å; A29-A32 PolarHBondContact O-N 3.33Å; A29-W33 PolarHBondContact O-N 2.79Å |
| 30 | P | 66.1 | Low | 65.7 | Low | 81 Ų | 81 | 89.3 Ų | 89.3 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -43 | -172.6 | -22.3 | 32.6 | 0 | 0 | 0 | 114 | D27 N28 A32 W33 D34 | D27-P30 WeakPolarHBondContact O-CD 3.47Å; N28-P30 VanDerWaalsContact C-CD 3.45Å; P30-A32 PolarHBondContact O-N 3.49Å; P30-W33 PolarHBondContact O-N 2.8Å; P30-D34 PolarHBondContact O-N 3.06Å; P30-D34 VanDerWaalsContact O-N 3.08Å |
| 31 | E | 75.4 | Confident | 68.5 | Low | 159 Ų | 159 | 84.6 Ų | 84.6 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | -178.9 | -67.7 | -172.2 | 168.4 | 0 | 0 | 112.5 | A29 D34 L35 | A29-E31 PolarHBondContact O-N 2.83Å; E31-D34 PolarHBondContact O-N 2.83Å; E31-L35 PolarHBondContact O-N 3.15Å; E31-L35 VanDerWaalsContact O-N 3.13Å |
| 32 | A | 77.1 | Confident | 71 | Confident | 39 Ų | 39 | 80 Ų | 80 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A29 P30 L36 | A29-A32 PolarHBondContact O-N 3.33Å; P30-A32 PolarHBondContact O-N 3.49Å; A32-L36 WeakPolarHBondContact O-CB 3.38Å; A32-L36 PolarHBondContact O-N 3.43Å |
| 33 | W | 78.9 | Confident | 73.4 | Confident | 51 Ų | 51 | 76 Ų | 76 | 19% | 0.193 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65 | -44 | 176 | -77.4 | 112.7 | 0 | 0 | 0 | 112 | A29 P30 L35 L36 H37 F102 D292 Q296 | A29-W33 PolarHBondContact O-N 2.79Å; P30-W33 PolarHBondContact O-N 2.8Å; W33-L35 VanDerWaalsContact C-N 3.35Å; W33-L35 PolarHBondContact O-N 3.36Å; W33-L36 HydrophobicContact CE3-CD2 4.48Å; W33-L36 HydrophobicContact CZ3-CD2 4.47Å; W33-L36 PolarHBondContact O-N 3.05Å; W33-L36 VanDerWaalsContact O-N 3.15Å; W33-H37 AromaticContact CE3-CE1 3.95Å; W33-H37 PolarHBondContact O-N 2.88Å; W33-H37 PolarHBondContact O-ND1 3.31Å; W33-F102 HydrophobicContact CZ3-CE2 4.11Å; W33-F102 HydrophobicContact CZ3-CZ 4.34Å; W33-D292 HydrophobicContact CH2-CB 3.85Å; W33-D292 HydrophobicContact CZ2-CB 3.73Å; W33-Q296 HydrophobicContact CH2-CG 4.25Å; W33-Q296 HydrophobicContact CZ3-CG 4.05Å |
| 34 | D | 81.4 | Confident | 75.6 | Confident | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.8 | -84.8 | -13.7 | 0 | 0 | 0 | 112.9 | P30 E31 L36 R38 | P30-D34 PolarHBondContact O-N 3.06Å; P30-D34 VanDerWaalsContact O-N 3.08Å; E31-D34 PolarHBondContact O-N 2.83Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-R38 PolarHBondContact O-N 3.46Å |
| 35 | L | 83.3 | Confident | 77.8 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 60% | 0.597 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 174.1 | -177.1 | 64 | 0 | 0 | 0 | 111 | E31 W33 R38 V39 | E31-L35 PolarHBondContact O-N 3.15Å; E31-L35 VanDerWaalsContact O-N 3.13Å; W33-L35 VanDerWaalsContact C-N 3.35Å; W33-L35 PolarHBondContact O-N 3.36Å; L35-R38 PolarHBondContact O-N 3.06Å; L35-V39 HydrophobicContact CD1-CG2 3.73Å; L35-V39 HydrophobicContact CG-CG2 4.15Å; L35-V39 WeakPolarHBondContact O-CB 3.35Å; L35-V39 WeakPolarHBondContact O-CG2 3.24Å; L35-V39 PolarHBondContact O-N 3.16Å |
| 36 | L | 82.9 | Confident | 79.9 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | -179.5 | -170.4 | 145.6 | 0 | 0 | 0 | 111.9 | A32 W33 D34 R38 V39 L40 L293 Q296 | A32-L36 WeakPolarHBondContact O-CB 3.38Å; A32-L36 PolarHBondContact O-N 3.43Å; W33-L36 HydrophobicContact CE3-CD2 4.48Å; W33-L36 HydrophobicContact CZ3-CD2 4.47Å; W33-L36 PolarHBondContact O-N 3.05Å; W33-L36 VanDerWaalsContact O-N 3.15Å; D34-L36 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 3.44Å; L36-V39 PolarHBondContact O-N 3.29Å; L36-L40 HydrophobicContact CD2-CB 4.25Å; L36-L40 HydrophobicContact CD2-CD2 3.61Å; L36-L40 HydrophobicContact CG-CB 4.33Å; L36-L40 HydrophobicContact CG-CD2 4.14Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 PolarHBondContact O-N 2.92Å; L36-L293 HydrophobicContact CD1-CD1 3.53Å; L36-Q296 HydrophobicContact CD1-CB 3.69Å; L36-Q296 HydrophobicContact CD1-CG 4.29Å; L36-Q296 HydrophobicContact CD2-CB 4.09Å; L36-Q296 HydrophobicContact CD2-CG 4.14Å; L36-Q296 HydrophobicContact CG-CB 4.48Å |
| 37 | H | 84.2 | Confident | 81.4 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 11% | 0.111 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.7 | -26.8 | 177 | -68.6 | 117.5 | 0 | 0 | 0 | 113 | W33 P41 I98 F102 | W33-H37 AromaticContact CE3-CE1 3.95Å; W33-H37 PolarHBondContact O-N 2.88Å; W33-H37 PolarHBondContact O-ND1 3.31Å; H37-P41 WeakPolarHBondContact O-CD 3.15Å; H37-P41 WeakPolarHBondContact O-CG 3.3Å; H37-I98 PolarHBondContact CD2-O 2.99Å; H37-F102 AromaticContact NE2-CD2 3.71Å; H37-F102 AromaticContact NE2-CE2 3.23Å; H37-F102 WeakPolarHBondContact NE2-CE2 3.49Å |
| 38 | R | 84.5 | Confident | 83 | Confident | 175 Ų | 175 | 62.6 Ų | 62.6 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -87.5 | -44.7 | 176.1 | -67.4 | -177.3 | -166.6 | -152 | 4.3 | 113.4 | D34 L35 L36 T42 | D34-R38 PolarHBondContact O-N 3.46Å; L35-R38 PolarHBondContact O-N 3.06Å; L36-R38 PolarHBondContact O-N 3.44Å; R38-T42 PolarHBondContact O-OG1 2.81Å; R38-T42 VanDerWaalsContact O-OG1 3.14Å |
| 39 | V | 87.6 | Confident | 84.7 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -78.6 | -42.3 | -172.2 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | L35 L36 T42 F43 | L35-V39 HydrophobicContact CD1-CG2 3.73Å; L35-V39 HydrophobicContact CG-CG2 4.15Å; L35-V39 WeakPolarHBondContact O-CB 3.35Å; L35-V39 WeakPolarHBondContact O-CG2 3.24Å; L35-V39 PolarHBondContact O-N 3.16Å; L36-V39 PolarHBondContact O-N 3.29Å; V39-T42 PolarHBondContact O-N 3.37Å; V39-F43 PolarHBondContact O-N 3.29Å; V39-F43 VanDerWaalsContact O-N 3.09Å |
| 40 | L | 87.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | -171.6 | -166.8 | 64.4 | 0 | 0 | 0 | 112.9 | L36 T42 F43 I44 I98 Q296 F300 | L36-L40 HydrophobicContact CD2-CB 4.25Å; L36-L40 HydrophobicContact CD2-CD2 3.61Å; L36-L40 HydrophobicContact CG-CB 4.33Å; L36-L40 HydrophobicContact CG-CD2 4.14Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 PolarHBondContact O-N 2.92Å; L40-T42 PolarHBondContact O-N 3.03Å; L40-F43 PolarHBondContact O-N 3.48Å; L40-I44 HydrophobicContact CG-CD1 3.97Å; L40-I44 VanDerWaalsContact O-CG1 3.29Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 2.89Å; L40-I98 HydrophobicContact CB-CG2 4.42Å; L40-I98 HydrophobicContact CD2-CD1 3.78Å; L40-I98 HydrophobicContact CD2-CG2 4.4Å; L40-I98 HydrophobicContact CG-CD1 4.19Å; L40-Q296 HydrophobicContact CD2-CB 4.15Å; L40-F300 HydrophobicContact CD1-CB 3.89Å; L40-F300 HydrophobicContact CD1-CD2 4.25Å |
| 41 | P | 90.6 | Very high | 87.3 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 5% | 0.045 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 175.1 | -27.4 | 38.7 | 0 | 0 | 0 | 113 | H37 F43 I44 I45 A95 I98 W99 | H37-P41 WeakPolarHBondContact O-CD 3.15Å; H37-P41 WeakPolarHBondContact O-CG 3.3Å; P41-F43 PolarHBondContact O-N 3.2Å; P41-I44 PolarHBondContact O-N 3.34Å; P41-I44 VanDerWaalsContact O-N 3.17Å; P41-I45 WeakPolarHBondContact O-CG1 3.41Å; P41-I45 PolarHBondContact O-N 3.09Å; P41-A95 HydrophobicContact CB-CB 4.01Å; P41-A95 WeakPolarHBondContact CB-O 2.82Å; P41-A95 WeakPolarHBondContact CG-O 3.32Å; P41-I98 HydrophobicContact CG-CB 4.01Å; P41-I98 HydrophobicContact CG-CG2 3.73Å; P41-W99 HydrophobicContact CB-CB 4.39Å; P41-W99 HydrophobicContact CB-CE3 4.42Å; P41-W99 HydrophobicContact CG-CB 4.07Å; P41-W99 HydrophobicContact CG-CE3 4.3Å |
| 42 | T | 91.1 | Very high | 88.2 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 111 | R38 V39 L40 S46 | R38-T42 PolarHBondContact O-OG1 2.81Å; R38-T42 VanDerWaalsContact O-OG1 3.14Å; V39-T42 PolarHBondContact O-N 3.37Å; L40-T42 PolarHBondContact O-N 3.03Å; T42-S46 PolarHBondContact O-N 3.11Å; T42-S46 VanDerWaalsContact O-N 3.09Å; T42-S46 PolarHBondContact O-OG 3.44Å |
| 43 | F | 89.6 | Confident | 88.9 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 30% | 0.303 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 176.4 | -170.3 | -90.7 | 0 | 0 | 0 | 112.8 | V39 L40 P41 I45 S46 I47 F300 | V39-F43 PolarHBondContact O-N 3.29Å; V39-F43 VanDerWaalsContact O-N 3.09Å; L40-F43 PolarHBondContact O-N 3.48Å; P41-F43 PolarHBondContact O-N 3.2Å; F43-I45 VanDerWaalsContact C-N 3.26Å; F43-I45 PolarHBondContact O-N 2.94Å; F43-S46 CarbonylContact O-C 3.28Å; F43-S46 WeakPolarHBondContact O-CA 3.36Å; F43-S46 VanDerWaalsContact O-CB 3.28Å; F43-S46 WeakPolarHBondContact O-CB 3.26Å; F43-S46 PolarHBondContact O-N 3.42Å; F43-I47 HydrophobicContact CD1-CD1 3.5Å; F43-I47 VanDerWaalsContact CD1-CD1 3.5Å; F43-I47 HydrophobicContact CD1-CG1 3.68Å; F43-I47 HydrophobicContact CE1-CD1 3.22Å; F43-I47 HydrophobicContact CE1-CG1 3.32Å; F43-I47 HydrophobicContact CZ-CD1 4.35Å; F43-I47 HydrophobicContact CZ-CG1 4.08Å; F43-I47 WeakPolarHBondContact O-CG1 3.24Å; F43-I47 PolarHBondContact O-N 2.86Å; F43-F300 HydrophobicContact CB-CD2 4.46Å; F43-F300 HydrophobicContact CB-CE2 4.35Å; F43-F300 AromaticContact CD1-CD2 3.08Å; F43-F300 HydrophobicContact CD1-CD2 3.08Å; F43-F300 AromaticContact CD1-CE2 3.02Å; F43-F300 HydrophobicContact CD1-CE2 3.02Å; F43-F300 HydrophobicContact CD1-CG 4.2Å; F43-F300 HydrophobicContact CD1-CZ 4.04Å; F43-F300 HydrophobicContact CD2-CD2 4.39Å; F43-F300 AromaticContact CD2-CE2 3.57Å; F43-F300 HydrophobicContact CD2-CE2 3.57Å; F43-F300 HydrophobicContact CD2-CZ 4.31Å; F43-F300 AromaticContact CE1-CD2 3.19Å; F43-F300 HydrophobicContact CE1-CD2 3.19Å; F43-F300 HydrophobicContact CE1-CE1 4.24Å; F43-F300 AromaticContact CE1-CE2 2.87Å; F43-F300 HydrophobicContact CE1-CE2 2.87Å; F43-F300 HydrophobicContact CE1-CG 4.03Å; F43-F300 AromaticContact CE1-CZ 3.42Å; F43-F300 HydrophobicContact CE1-CZ 3.42Å; F43-F300 VanDerWaalsContact CE1-CZ 3.42Å; F43-F300 HydrophobicContact CE2-CD2 4.47Å; F43-F300 AromaticContact CE2-CE2 3.44Å; F43-F300 HydrophobicContact CE2-CE2 3.44Å; F43-F300 VanDerWaalsContact CE2-CE2 3.44Å; F43-F300 AromaticContact CE2-CZ 3.74Å; F43-F300 HydrophobicContact CE2-CZ 3.74Å; F43-F300 AromaticContact CG-CD2 3.74Å; F43-F300 HydrophobicContact CG-CD2 3.74Å; F43-F300 AromaticContact CG-CE2 3.36Å; F43-F300 HydrophobicContact CG-CE2 3.36Å; F43-F300 HydrophobicContact CG-CZ 4.43Å; F43-F300 AromaticContact CZ-CD2 3.93Å; F43-F300 HydrophobicContact CZ-CD2 3.93Å; F43-F300 HydrophobicContact CZ-CE1 4.27Å; F43-F300 AromaticContact CZ-CE2 3.1Å; F43-F300 HydrophobicContact CZ-CE2 3.1Å; F43-F300 AromaticContact CZ-CZ 3.25Å; F43-F300 HydrophobicContact CZ-CZ 3.25Å |
| 44 | I | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 175.9 | -72.5 | 163.7 | 0 | 0 | 0 | 110.8 | L40 P41 S46 I47 C48 L91 A95 I98 F303 | L40-I44 HydrophobicContact CG-CD1 3.97Å; L40-I44 VanDerWaalsContact O-CG1 3.29Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 2.89Å; P41-I44 PolarHBondContact O-N 3.34Å; P41-I44 VanDerWaalsContact O-N 3.17Å; I44-S46 VanDerWaalsContact C-N 3.29Å; I44-S46 PolarHBondContact O-N 3.43Å; I44-I47 WeakPolarHBondContact O-CB 3.42Å; I44-I47 PolarHBondContact O-N 2.64Å; I44-C48 WeakPolarHBondContact O-CB 3.36Å; I44-C48 PolarHBondContact O-N 3.28Å; I44-L91 HydrophobicContact CG2-CB 3.66Å; I44-L91 HydrophobicContact CG2-CD1 4.42Å; I44-L91 HydrophobicContact CG2-CD2 4.05Å; I44-L91 HydrophobicContact CG2-CG 4.25Å; I44-L91 WeakPolarHBondContact CG2-O 3.49Å; I44-A95 HydrophobicContact CB-CB 4.18Å; I44-A95 HydrophobicContact CG2-CB 3.93Å; I44-I98 HydrophobicContact CD1-CD1 3.47Å; I44-I98 VanDerWaalsContact CD1-CD1 3.47Å; I44-F303 HydrophobicContact CD1-CE2 4.29Å; I44-F303 HydrophobicContact CG1-CD2 4.14Å; I44-F303 HydrophobicContact CG1-CE2 4.4Å |
| 45 | I | 93.7 | Very high | 89.8 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 42% | 0.415 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 175.3 | -66.8 | -60.1 | 0 | 0 | 0 | 111.4 | P41 F43 C48 F49 P92 A95 | P41-I45 WeakPolarHBondContact O-CG1 3.41Å; P41-I45 PolarHBondContact O-N 3.09Å; F43-I45 VanDerWaalsContact C-N 3.26Å; F43-I45 PolarHBondContact O-N 2.94Å; I45-C48 WeakPolarHBondContact O-CB 3.47Å; I45-C48 PolarHBondContact O-N 3.49Å; I45-F49 PolarHBondContact O-N 2.96Å; I45-P92 HydrophobicContact CD1-CB 4.08Å; I45-P92 HydrophobicContact CD1-CG 4.29Å; I45-A95 HydrophobicContact CD1-CB 3.85Å; I45-A95 HydrophobicContact CG1-CB 3.92Å |
| 46 | S | 92.3 | Very high | 90.1 | Very high | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 175.3 | -56 | 0 | 0 | 0 | 0 | 111.4 | T42 F43 I44 C48 F49 F50 | T42-S46 PolarHBondContact O-N 3.11Å; T42-S46 VanDerWaalsContact O-N 3.09Å; T42-S46 PolarHBondContact O-OG 3.44Å; F43-S46 CarbonylContact O-C 3.28Å; F43-S46 WeakPolarHBondContact O-CA 3.36Å; F43-S46 VanDerWaalsContact O-CB 3.28Å; F43-S46 WeakPolarHBondContact O-CB 3.26Å; F43-S46 PolarHBondContact O-N 3.42Å; I44-S46 VanDerWaalsContact C-N 3.29Å; I44-S46 PolarHBondContact O-N 3.43Å; S46-C48 VanDerWaalsContact C-N 3.29Å; S46-C48 PolarHBondContact O-N 3.23Å; S46-F49 PolarHBondContact O-N 3.32Å; S46-F50 WeakPolarHBondContact O-CD2 3.47Å; S46-F50 PolarHBondContact O-N 3.36Å |
| 47 | I | 91.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | 171.7 | -62.3 | 171 | 0 | 0 | 0 | 109.8 | F43 I44 F49 F50 G51 L91 F303 S307 | F43-I47 HydrophobicContact CD1-CD1 3.5Å; F43-I47 VanDerWaalsContact CD1-CD1 3.5Å; F43-I47 HydrophobicContact CD1-CG1 3.68Å; F43-I47 HydrophobicContact CE1-CD1 3.22Å; F43-I47 HydrophobicContact CE1-CG1 3.32Å; F43-I47 HydrophobicContact CZ-CD1 4.35Å; F43-I47 HydrophobicContact CZ-CG1 4.08Å; F43-I47 WeakPolarHBondContact O-CG1 3.24Å; F43-I47 PolarHBondContact O-N 2.86Å; I44-I47 WeakPolarHBondContact O-CB 3.42Å; I44-I47 PolarHBondContact O-N 2.64Å; I47-F49 PolarHBondContact O-N 3.22Å; I47-F50 PolarHBondContact O-N 3.46Å; I47-G51 WeakPolarHBondContact O-CA 3.26Å; I47-G51 PolarHBondContact O-N 3.37Å; I47-L91 HydrophobicContact CB-CD1 4.3Å; I47-L91 HydrophobicContact CG2-CD1 3.88Å; I47-F303 HydrophobicContact CD1-CB 3.73Å; I47-F303 WeakPolarHBondContact CG2-O 3.48Å; I47-S307 WeakPolarHBondContact CG2-OG 3.39Å; I47-S307 PolarHBondContact O-OG 2.93Å |
| 48 | C | 93.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.9 | -49 | 178.8 | 178 | 0 | 0 | 0 | 0 | 111.1 | I44 I45 S46 G51 L52 V88 L91 | I44-C48 WeakPolarHBondContact O-CB 3.36Å; I44-C48 PolarHBondContact O-N 3.28Å; I45-C48 WeakPolarHBondContact O-CB 3.47Å; I45-C48 PolarHBondContact O-N 3.49Å; S46-C48 VanDerWaalsContact C-N 3.29Å; S46-C48 PolarHBondContact O-N 3.23Å; C48-G51 PolarHBondContact O-N 3.49Å; C48-L52 WeakPolarHBondContact O-CB 3.4Å; C48-L52 VanDerWaalsContact O-CG 3.25Å; C48-L52 WeakPolarHBondContact O-CG 3.47Å; C48-L52 PolarHBondContact O-N 2.92Å; C48-V88 PolarHBondContact SG-O 2.87Å; C48-L91 HydrophobicContact CB-CB 4.17Å; C48-L91 HydrophobicContact CB-CD1 4.25Å |
| 49 | F | 93.8 | Very high | 90.2 | Very high | 128 Ų | 128 | 48.8 Ų | 48.8 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.2 | -52.9 | 178.2 | 177.1 | -98.7 | 0 | 0 | 0 | 112.6 | I45 S46 I47 G51 L52 L53 | I45-F49 PolarHBondContact O-N 2.96Å; S46-F49 PolarHBondContact O-N 3.32Å; I47-F49 PolarHBondContact O-N 3.22Å; F49-G51 VanDerWaalsContact C-N 3.33Å; F49-G51 PolarHBondContact O-N 3.01Å; F49-L52 PolarHBondContact O-N 2.93Å; F49-L53 WeakPolarHBondContact O-CB 3.39Å; F49-L53 PolarHBondContact O-N 3.37Å |
| 50 | F | 91.5 | Very high | 90 | Very high | 127 Ų | 127 | 49.1 Ų | 49.1 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.7 | -35.9 | -180 | -73 | -66.1 | 0 | 0 | 0 | 112.4 | S46 I47 L53 G54 | S46-F50 WeakPolarHBondContact O-CD2 3.47Å; S46-F50 PolarHBondContact O-N 3.36Å; I47-F50 PolarHBondContact O-N 3.46Å; F50-L53 PolarHBondContact O-N 3.45Å; F50-G54 PolarHBondContact O-N 2.95Å |
| 51 | G | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I47 C48 F49 N55 S307 | I47-G51 WeakPolarHBondContact O-CA 3.26Å; I47-G51 PolarHBondContact O-N 3.37Å; C48-G51 PolarHBondContact O-N 3.49Å; F49-G51 VanDerWaalsContact C-N 3.33Å; F49-G51 PolarHBondContact O-N 3.01Å; G51-N55 VanDerWaalsContact O-CB 3.23Å; G51-N55 WeakPolarHBondContact O-CB 3.43Å; G51-N55 PolarHBondContact O-N 2.96Å; G51-N55 PolarHBondContact O-ND2 2.86Å; G51-S307 VanDerWaalsContact CA-OG 3.23Å; G51-S307 WeakPolarHBondContact CA-OG 3.49Å; G51-S307 PolarHBondContact N-OG 2.89Å |
| 52 | L | 93.3 | Very high | 88.9 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 171.9 | -76.6 | 171.2 | 0 | 0 | 0 | 110.4 | C48 F49 G54 L56 L85 V88 L89 | C48-L52 WeakPolarHBondContact O-CB 3.4Å; C48-L52 VanDerWaalsContact O-CG 3.25Å; C48-L52 WeakPolarHBondContact O-CG 3.47Å; C48-L52 PolarHBondContact O-N 2.92Å; F49-L52 PolarHBondContact O-N 2.93Å; L52-G54 PolarHBondContact O-N 3.4Å; L52-L56 WeakPolarHBondContact O-CB 3.19Å; L52-L56 WeakPolarHBondContact O-CG 3.2Å; L52-L56 PolarHBondContact O-N 3.12Å; L52-L85 HydrophobicContact CD2-CD2 4.03Å; L52-V88 HydrophobicContact CD2-CG2 3.6Å; L52-V88 HydrophobicContact CG-CG2 3.74Å; L52-L89 HydrophobicContact CD2-CD2 3.88Å; L52-L89 HydrophobicContact CD2-CG 4.26Å |
| 53 | L | 91.6 | Very high | 88.1 | Confident | 107 Ų | 107 | 51.3 Ų | 51.3 | 56% | 0.56 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -57.5 | -50.3 | -179.2 | -175.1 | 69.3 | 0 | 0 | 0 | 111.8 | F49 F50 F57 | F49-L53 WeakPolarHBondContact O-CB 3.39Å; F49-L53 PolarHBondContact O-N 3.37Å; F50-L53 PolarHBondContact O-N 3.45Å; L53-F57 VanDerWaalsContact O-CB 3.22Å; L53-F57 WeakPolarHBondContact O-CB 3.46Å; L53-F57 PolarHBondContact O-N 3.44Å |
| 54 | G | 88.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 54 Ų | 54 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.9 | -47.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | F50 L52 F57 V58 P310 | F50-G54 PolarHBondContact O-N 2.95Å; L52-G54 PolarHBondContact O-N 3.4Å; G54-F57 WeakPolarHBondContact O-CB 3.42Å; G54-F57 PolarHBondContact O-N 3.3Å; G54-V58 WeakPolarHBondContact O-CG2 3.48Å; G54-V58 PolarHBondContact O-N 2.96Å; G54-P310 VanDerWaalsContact C-CG 3.47Å |
| 55 | N | 90.6 | Very high | 85.9 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.9 | -31.4 | -176.8 | -67.6 | -64.6 | 0 | 0 | 0 | 112.4 | G51 S59 A81 L85 S306 P310 | G51-N55 VanDerWaalsContact O-CB 3.23Å; G51-N55 WeakPolarHBondContact O-CB 3.43Å; G51-N55 PolarHBondContact O-N 2.96Å; G51-N55 PolarHBondContact O-ND2 2.86Å; N55-S59 WeakPolarHBondContact O-CB 3.39Å; N55-S59 PolarHBondContact O-N 3.48Å; N55-S59 PolarHBondContact O-OG 3.41Å; N55-A81 HydrophobicContact CB-CB 4.21Å; N55-L85 HydrophobicContact CB-CD1 4.46Å; N55-L85 HydrophobicContact CB-CD2 3.82Å; N55-L85 HydrophobicContact CB-CG 3.7Å; N55-S306 PolarHBondContact ND2-O 3.3Å; N55-P310 VanDerWaalsContact OD1-CG 3.27Å; N55-P310 WeakPolarHBondContact OD1-CG 3.39Å |
| 56 | L | 90.7 | Very high | 84.1 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 44% | 0.44 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 167.7 | -74.9 | 174 | 0 | 0 | 0 | 110.3 | L52 V58 S59 L60 L85 | L52-L56 WeakPolarHBondContact O-CB 3.19Å; L52-L56 WeakPolarHBondContact O-CG 3.2Å; L52-L56 PolarHBondContact O-N 3.12Å; L56-V58 VanDerWaalsContact C-N 3.32Å; L56-V58 PolarHBondContact O-N 3.2Å; L56-S59 WeakPolarHBondContact O-CB 3.45Å; L56-S59 PolarHBondContact O-N 2.86Å; L56-S59 VanDerWaalsContact O-N 3.11Å; L56-L60 WeakPolarHBondContact O-CB 3.41Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.47Å; L56-L85 HydrophobicContact CD2-CD1 4.04Å; L56-L85 HydrophobicContact CD2-CD2 3.98Å; L56-L85 HydrophobicContact CG-CD2 3.78Å |
| 57 | F | 85.8 | Confident | 82.8 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.5 | -45.7 | 177.6 | 177.7 | -101.1 | 0 | 0 | 0 | 112.3 | L53 G54 L60 L61 V314 V324 | L53-F57 VanDerWaalsContact O-CB 3.22Å; L53-F57 WeakPolarHBondContact O-CB 3.46Å; L53-F57 PolarHBondContact O-N 3.44Å; G54-F57 WeakPolarHBondContact O-CB 3.42Å; G54-F57 PolarHBondContact O-N 3.3Å; F57-L60 PolarHBondContact O-N 3.25Å; F57-L61 WeakPolarHBondContact O-CB 3.35Å; F57-L61 PolarHBondContact O-N 2.82Å; F57-V314 HydrophobicContact CE1-CG2 4.42Å; F57-V324 HydrophobicContact CE1-CG2 4.11Å; F57-V324 HydrophobicContact CZ-CG2 3.87Å |
| 58 | V | 84.4 | Confident | 81.3 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | G54 L56 L61 V62 A81 P310 F320 | G54-V58 WeakPolarHBondContact O-CG2 3.48Å; G54-V58 PolarHBondContact O-N 2.96Å; L56-V58 VanDerWaalsContact C-N 3.32Å; L56-V58 PolarHBondContact O-N 3.2Å; V58-L61 WeakPolarHBondContact O-CB 3.36Å; V58-L61 PolarHBondContact O-N 3.35Å; V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 3.17Å; V58-A81 HydrophobicContact CB-CB 4.12Å; V58-A81 HydrophobicContact CG1-CB 3.83Å; V58-P310 HydrophobicContact CG2-CB 3.87Å; V58-P310 HydrophobicContact CG2-CG 4.14Å; V58-F320 HydrophobicContact CB-CE1 4.47Å; V58-F320 HydrophobicContact CG1-CE1 4.19Å; V58-F320 HydrophobicContact CG1-CZ 4.07Å; V58-F320 HydrophobicContact CG2-CE1 4Å |
| 59 | S | 84.2 | Confident | 80.3 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 179.3 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | N55 L56 L61 V62 F63 | N55-S59 WeakPolarHBondContact O-CB 3.39Å; N55-S59 PolarHBondContact O-N 3.48Å; N55-S59 PolarHBondContact O-OG 3.41Å; L56-S59 WeakPolarHBondContact O-CB 3.45Å; L56-S59 PolarHBondContact O-N 2.86Å; L56-S59 VanDerWaalsContact O-N 3.11Å; S59-L61 VanDerWaalsContact C-N 3.31Å; S59-L61 PolarHBondContact O-N 2.91Å; S59-V62 PolarHBondContact O-N 3.29Å; S59-V62 VanDerWaalsContact O-N 3.09Å; S59-F63 WeakPolarHBondContact O-CB 3.42Å; S59-F63 WeakPolarHBondContact O-CD2 3.4Å; S59-F63 PolarHBondContact O-N 2.93Å |
| 60 | L | 82.9 | Confident | 79.7 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 175.7 | -67 | 170.5 | 0 | 0 | 0 | 111 | L56 F57 V62 F63 L64 | L56-L60 WeakPolarHBondContact O-CB 3.41Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.47Å; F57-L60 PolarHBondContact O-N 3.25Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 PolarHBondContact O-N 3.03Å; L60-F63 PolarHBondContact O-N 3.26Å; L60-L64 HydrophobicContact CB-CD1 4.04Å; L60-L64 HydrophobicContact CD2-CD1 3.35Å; L60-L64 HydrophobicContact CD2-CG 4.11Å; L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 VanDerWaalsContact O-CB 3.26Å; L60-L64 WeakPolarHBondContact O-CB 3.42Å; L60-L64 PolarHBondContact O-N 2.88Å |
| 61 | L | 77.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -33.7 | 177 | -167.4 | 74.6 | 0 | 0 | 0 | 112.8 | F57 V58 S59 L65 F320 K323 L327 | F57-L61 WeakPolarHBondContact O-CB 3.35Å; F57-L61 PolarHBondContact O-N 2.82Å; V58-L61 WeakPolarHBondContact O-CB 3.36Å; V58-L61 PolarHBondContact O-N 3.35Å; S59-L61 VanDerWaalsContact C-N 3.31Å; S59-L61 PolarHBondContact O-N 2.91Å; L61-L65 HydrophobicContact CD1-CD1 3.55Å; L61-L65 HydrophobicContact CG-CD1 4.04Å; L61-L65 WeakPolarHBondContact O-CD1 3.28Å; L61-F320 HydrophobicContact CD2-CD1 3.3Å; L61-F320 HydrophobicContact CD2-CE1 3.29Å; L61-F320 HydrophobicContact CD2-CG 4.27Å; L61-F320 HydrophobicContact CD2-CZ 4.2Å; L61-K323 HydrophobicContact CD1-CB 4.02Å; L61-K323 HydrophobicContact CD2-CB 3.86Å; L61-K323 HydrophobicContact CD2-CD 3.74Å; L61-K323 HydrophobicContact CG-CB 4.22Å; L61-K323 HydrophobicContact CG-CD 4.1Å; L61-L327 HydrophobicContact CD1-CD1 3.26Å; L61-L327 HydrophobicContact CD1-CG 3.97Å |
| 62 | V | 77 | Confident | 79 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -77.7 | -45 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | V58 S59 L60 L70 A78 | V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 3.17Å; S59-V62 PolarHBondContact O-N 3.29Å; S59-V62 VanDerWaalsContact O-N 3.09Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 PolarHBondContact O-N 3.03Å; V62-L70 HydrophobicContact CG1-CD1 3.64Å; V62-L70 HydrophobicContact CG1-CD2 3.71Å; V62-L70 HydrophobicContact CG1-CG 4.34Å; V62-A78 HydrophobicContact CB-CB 4.46Å; V62-A78 HydrophobicContact CG1-CB 3.88Å; V62-A78 HydrophobicContact CG2-CB 4.33Å |
| 63 | F | 73.1 | Confident | 78.5 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 63% | 0.627 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -93.2 | -33.2 | -168.3 | -66.7 | -65.4 | 0 | 0 | 0 | 114.7 | S59 L60 A78 | S59-F63 WeakPolarHBondContact O-CB 3.42Å; S59-F63 WeakPolarHBondContact O-CD2 3.4Å; S59-F63 PolarHBondContact O-N 2.93Å; L60-F63 PolarHBondContact O-N 3.26Å; F63-A78 HydrophobicContact CZ-CB 4.46Å |
| 64 | L | 68.7 | Low | 78.1 | Confident | 124 Ų | 124 | 60 Ų | 60 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -17.9 | -175.4 | -65.6 | 178.3 | 0 | 0 | 0 | 114.2 | L60 P66 | L60-L64 HydrophobicContact CB-CD1 4.04Å; L60-L64 HydrophobicContact CD2-CD1 3.35Å; L60-L64 HydrophobicContact CD2-CG 4.11Å; L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 VanDerWaalsContact O-CB 3.26Å; L60-L64 WeakPolarHBondContact O-CB 3.42Å; L60-L64 PolarHBondContact O-N 2.88Å; L64-P66 VanDerWaalsContact O-CD 3.28Å; L64-P66 WeakPolarHBondContact O-CD 3.33Å |
| 65 | L | 67 | Low | 78.1 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -73.3 | 117.7 | 176.3 | -88.9 | 163.6 | 0 | 0 | 0 | 109.4 | L61 R67 L327 | L61-L65 HydrophobicContact CD1-CD1 3.55Å; L61-L65 HydrophobicContact CG-CD1 4.04Å; L61-L65 WeakPolarHBondContact O-CD1 3.28Å; L65-R67 HydrophobicContact CB-CG 4.4Å; L65-R67 VanDerWaalsContact CB-NH1 3.31Å; L65-R67 PolarHBondContact O-N 3.12Å; L65-L327 HydrophobicContact CD1-CD1 4.38Å; L65-L327 HydrophobicContact CD1-CD2 4.13Å; L65-L327 HydrophobicContact CD1-CG 4.01Å; L65-L327 HydrophobicContact CD2-CD2 3.57Å; L65-L327 HydrophobicContact CD2-CG 4.18Å; L65-L327 HydrophobicContact CG-CD2 3.85Å; L65-L327 HydrophobicContact CG-CG 4.29Å |
| 66 | P | 55.4 | Low | 78 | Confident | 122 Ų | 122 | 60 Ų | 60 | 79% | 0.792 | 29% | 0.292 | S | S | * | . | trans | -61.1 | 99.9 | -178.1 | -19 | 30.5 | 0 | 0 | 0 | 109.7 | L64 | L64-P66 VanDerWaalsContact O-CD 3.28Å; L64-P66 WeakPolarHBondContact O-CD 3.33Å | ||
| 67 | R | 65.5 | Low | 77.8 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | trans | -137.7 | 138.1 | -176.8 | -69.3 | -158.5 | 179.2 | 101.2 | -0.7 | 111.3 | L65 E326 | L65-R67 HydrophobicContact CB-CG 4.4Å; L65-R67 VanDerWaalsContact CB-NH1 3.31Å; L65-R67 PolarHBondContact O-N 3.12Å; R67-E326 IonicContact CZ-OE2 3.92Å; R67-E326 IonicContact NH2-OE2 2.72Å; R67-E326 PolarHBondContact NH2-OE2 2.76Å | ||
| 68 | R | 61.2 | Low | 77.9 | Confident | 252 Ų | 252 | 53 Ų | 53 | 95% | 0.951 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -67.3 | -37.3 | -177.9 | -147.2 | 175.2 | 176.7 | 130.1 | -1.8 | 112.2 | ||
| 69 | Q | 72.9 | Confident | 78.3 | Confident | 87 Ų | 87 | 54.5 Ų | 54.5 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | trans | -157.6 | 138.2 | 178.7 | -62.2 | -169.6 | 4.5 | 0 | 0 | 113.7 | Q149 | Q69-Q149 VanDerWaalsContact OE1-OE1 3.05Š| ||
| 70 | L | 80.6 | Confident | 78.5 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | trans | -72.9 | 146.5 | 173.6 | -61.8 | 176.4 | 0 | 0 | 0 | 113.2 | V62 E74 I75 R152 | V62-L70 HydrophobicContact CG1-CD1 3.64Å; V62-L70 HydrophobicContact CG1-CD2 3.71Å; V62-L70 HydrophobicContact CG1-CG 4.34Å; L70-E74 WeakPolarHBondContact CA-OE2 3.46Å; L70-E74 HydrophobicContact CB-CB 4.35Å; L70-E74 HydrophobicContact CD2-CB 4.36Å; L70-I75 HydrophobicContact CB-CG1 3.94Å; L70-R152 WeakPolarHBondContact O-CD 3.45Å; L70-R152 PolarHBondContact O-NE 2.87Å | ||
| 71 | N | 82.1 | Confident | 78.9 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | trans | -82.1 | 161.3 | 170.3 | -64.4 | -28.4 | 0 | 0 | 0 | 111.7 | A73 E74 I75 R148 R152 | N71-A73 PolarHBondContact O-N 3.33Å; N71-E74 HydrophobicContact CB-CG 4.1Å; N71-E74 PolarHBondContact N-OE2 3.4Å; N71-E74 WeakPolarHBondContact O-CA 3.41Å; N71-E74 WeakPolarHBondContact O-CB 3.27Å; N71-E74 PolarHBondContact O-N 2.99Å; N71-I75 WeakPolarHBondContact O-CG1 3.26Å; N71-I75 PolarHBondContact O-N 3.48Å; N71-R148 PolarHBondContact OD1-NH2 3.35Å; N71-R152 PolarHBondContact OD1-NH2 2.94Å | ||
| 72 | V | 86.3 | Confident | 79.6 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.1 | -47.6 | -175.7 | 175.6 | 0 | 0 | 0 | 0 | 113 | E74 I75 Y76 D135 R151 R152 A155 | V72-E74 PolarHBondContact O-N 3.31Å; V72-I75 WeakPolarHBondContact O-CB 3.49Å; V72-I75 PolarHBondContact O-N 3.45Å; V72-Y76 HydrophobicContact CG1-CD2 3.91Å; V72-Y76 HydrophobicContact CG1-CE2 3.44Å; V72-Y76 VanDerWaalsContact CG1-CE2 3.44Å; V72-Y76 WeakPolarHBondContact O-CD2 3.36Å; V72-Y76 PolarHBondContact O-N 3.5Å; V72-D135 HydrophobicContact CG1-CB 4.3Å; V72-D135 VanDerWaalsContact CG1-CG 3.46Å; V72-D135 VanDerWaalsContact CG1-OD1 3.26Å; V72-D135 WeakPolarHBondContact CG1-OD1 3.26Å; V72-R151 HydrophobicContact CG2-CB 4Å; V72-R152 HydrophobicContact CG2-CG 4.21Å; V72-A155 HydrophobicContact CB-CB 4.41Å; V72-A155 HydrophobicContact CG1-CB 3.7Å; V72-A155 HydrophobicContact CG2-CB 4.33Å |
| 73 | A | 81.8 | Confident | 80.4 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -35.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N71 L77 L319 | N71-A73 PolarHBondContact O-N 3.33Å; A73-L77 WeakPolarHBondContact O-CB 3.44Å; A73-L77 WeakPolarHBondContact O-CD1 3.48Å; A73-L77 WeakPolarHBondContact O-CG 3.24Å; A73-L77 PolarHBondContact O-N 3.42Å; A73-L319 HydrophobicContact CB-CD2 4.23Å |
| 74 | E | 83.3 | Confident | 81.4 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.3 | -34 | 179.7 | -56.2 | 169.1 | 160.1 | 0 | 0 | 111.4 | L70 N71 V72 A78 L319 K323 | L70-E74 WeakPolarHBondContact CA-OE2 3.46Å; L70-E74 HydrophobicContact CB-CB 4.35Å; L70-E74 HydrophobicContact CD2-CB 4.36Å; N71-E74 HydrophobicContact CB-CG 4.1Å; N71-E74 PolarHBondContact N-OE2 3.4Å; N71-E74 WeakPolarHBondContact O-CA 3.41Å; N71-E74 WeakPolarHBondContact O-CB 3.27Å; N71-E74 PolarHBondContact O-N 2.99Å; V72-E74 PolarHBondContact O-N 3.31Å; E74-A78 VanDerWaalsContact O-CB 3.27Å; E74-A78 WeakPolarHBondContact O-CB 3.45Å; E74-A78 PolarHBondContact O-N 3.23Å; E74-L319 HydrophobicContact CG-CD2 4Å; E74-K323 WeakPolarHBondContact OE1-CE 3.4Å; E74-K323 IonicContact OE1-NZ 2.65Å; E74-K323 PolarHBondContact OE1-NZ 2.93Å; E74-K323 IonicContact OE2-NZ 3.98Å |
| 75 | I | 89.2 | Confident | 82.5 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -49.6 | 175 | -65.6 | 165.6 | 0 | 0 | 0 | 110.2 | L70 N71 V72 L77 A78 N79 R152 A155 R156 | L70-I75 HydrophobicContact CB-CG1 3.94Å; N71-I75 WeakPolarHBondContact O-CG1 3.26Å; N71-I75 PolarHBondContact O-N 3.48Å; V72-I75 WeakPolarHBondContact O-CB 3.49Å; V72-I75 PolarHBondContact O-N 3.45Å; I75-L77 PolarHBondContact O-N 3.04Å; I75-A78 PolarHBondContact O-N 3.27Å; I75-N79 PolarHBondContact O-N 3.11Å; I75-N79 VanDerWaalsContact O-N 3.15Å; I75-N79 PolarHBondContact O-ND2 3.37Å; I75-R152 HydrophobicContact CD1-CB 4.4Å; I75-R152 HydrophobicContact CD1-CG 4.47Å; I75-A155 HydrophobicContact CD1-CB 4.38Å; I75-A155 HydrophobicContact CG2-CB 4.44Å; I75-R156 HydrophobicContact CD1-CG 4.2Å; I75-R156 HydrophobicContact CG2-CG 4.37Å |
| 76 | Y | 88.8 | Confident | 83.8 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 178.7 | -67.4 | -52 | 0 | 0 | 0 | 112.2 | V72 A78 N79 L80 L128 A131 I132 D135 A155 T158 C159 | V72-Y76 HydrophobicContact CG1-CD2 3.91Å; V72-Y76 HydrophobicContact CG1-CE2 3.44Å; V72-Y76 VanDerWaalsContact CG1-CE2 3.44Å; V72-Y76 WeakPolarHBondContact O-CD2 3.36Å; V72-Y76 PolarHBondContact O-N 3.5Å; Y76-A78 VanDerWaalsContact C-N 3.34Å; Y76-A78 PolarHBondContact O-N 2.78Å; Y76-N79 PolarHBondContact O-N 2.91Å; Y76-L80 WeakPolarHBondContact O-CB 3.4Å; Y76-L80 PolarHBondContact O-N 2.84Å; Y76-L128 HydrophobicContact CD1-CD2 3.93Å; Y76-A131 HydrophobicContact CD1-CB 4.23Å; Y76-A131 HydrophobicContact CE1-CB 3.78Å; Y76-A131 HydrophobicContact CE2-CB 4.47Å; Y76-I132 HydrophobicContact CD2-CG1 4.03Å; Y76-I132 HydrophobicContact CG-CG1 3.99Å; Y76-D135 HydrophobicContact CE2-CB 4.04Å; Y76-A155 HydrophobicContact CE1-CB 4.25Å; Y76-A155 HydrophobicContact CE2-CB 4.21Å; Y76-T158 HydrophobicContact CE1-CG2 4.19Å; Y76-C159 WeakPolarHBondContact CD1-SG 3.34Å |
| 77 | L | 85.3 | Confident | 85.6 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -34.6 | 178.9 | -69.8 | 173.1 | 0 | 0 | 0 | 113.2 | A73 I75 N79 L80 A81 I132 Y313 F320 | A73-L77 WeakPolarHBondContact O-CB 3.44Å; A73-L77 WeakPolarHBondContact O-CD1 3.48Å; A73-L77 WeakPolarHBondContact O-CG 3.24Å; A73-L77 PolarHBondContact O-N 3.42Å; I75-L77 PolarHBondContact O-N 3.04Å; L77-N79 VanDerWaalsContact C-N 3.35Å; L77-L80 HydrophobicContact CD2-CD2 4.45Å; L77-L80 PolarHBondContact O-N 3.3Å; L77-A81 VanDerWaalsContact O-CB 3.32Å; L77-A81 WeakPolarHBondContact O-CB 3.49Å; L77-A81 PolarHBondContact O-N 2.93Å; L77-I132 HydrophobicContact CD2-CD1 4.29Å; L77-Y313 HydrophobicContact CD1-CD1 4.19Å; L77-Y313 HydrophobicContact CD1-CG 4.26Å; L77-Y313 HydrophobicContact CD2-CD1 3.74Å; L77-Y313 HydrophobicContact CD2-CD2 3.28Å; L77-Y313 HydrophobicContact CD2-CE1 3.63Å; L77-Y313 HydrophobicContact CD2-CE2 3.22Å; L77-Y313 HydrophobicContact CD2-CG 3.59Å; L77-F320 HydrophobicContact CD1-CD2 4.35Å; L77-F320 HydrophobicContact CD1-CE2 3.37Å; L77-F320 HydrophobicContact CD1-CZ 3.97Å |
| 78 | A | 88.3 | Confident | 86.9 | Confident | 8 Ų | 8 | 33 Ų | 33 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V62 F63 E74 I75 Y76 A82 | V62-A78 HydrophobicContact CB-CB 4.46Å; V62-A78 HydrophobicContact CG1-CB 3.88Å; V62-A78 HydrophobicContact CG2-CB 4.33Å; F63-A78 HydrophobicContact CZ-CB 4.46Å; E74-A78 VanDerWaalsContact O-CB 3.27Å; E74-A78 WeakPolarHBondContact O-CB 3.45Å; E74-A78 PolarHBondContact O-N 3.23Å; I75-A78 PolarHBondContact O-N 3.27Å; Y76-A78 VanDerWaalsContact C-N 3.34Å; Y76-A78 PolarHBondContact O-N 2.78Å; A78-A82 VanDerWaalsContact O-CB 3.3Å; A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 3.13Å |
| 79 | N | 92.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 26 Ų | 26 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.3 | -39.1 | 176.4 | -79.1 | -91.7 | 0 | 0 | 0 | 111.7 | I75 Y76 L77 A82 S83 L128 W163 | I75-N79 PolarHBondContact O-N 3.11Å; I75-N79 VanDerWaalsContact O-N 3.15Å; I75-N79 PolarHBondContact O-ND2 3.37Å; Y76-N79 PolarHBondContact O-N 2.91Å; L77-N79 VanDerWaalsContact C-N 3.35Å; N79-A82 PolarHBondContact O-N 3.19Å; N79-S83 PolarHBondContact O-N 3.01Å; N79-S83 PolarHBondContact O-OG 3.34Å; N79-L128 HydrophobicContact CB-CD1 3.97Å; N79-L128 HydrophobicContact CB-CD2 4Å; N79-W163 PolarHBondContact OD1-NE1 3.26Å |
| 80 | L | 90.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 176.6 | -173.8 | 64.2 | 0 | 0 | 0 | 110.8 | Y76 L77 A82 S83 D84 L128 N309 Y313 | Y76-L80 WeakPolarHBondContact O-CB 3.4Å; Y76-L80 PolarHBondContact O-N 2.84Å; L77-L80 HydrophobicContact CD2-CD2 4.45Å; L77-L80 PolarHBondContact O-N 3.3Å; L80-A82 VanDerWaalsContact C-N 3.3Å; L80-A82 PolarHBondContact O-N 3.18Å; L80-S83 PolarHBondContact O-N 2.99Å; L80-S83 PolarHBondContact O-OG 2.75Å; L80-D84 VanDerWaalsContact O-CB 3.29Å; L80-D84 WeakPolarHBondContact O-CB 3.46Å; L80-D84 PolarHBondContact O-N 2.95Å; L80-L128 HydrophobicContact CB-CD1 3.96Å; L80-L128 HydrophobicContact CD1-CB 4.31Å; L80-L128 HydrophobicContact CD1-CD1 4.12Å; L80-N309 HydrophobicContact CD2-CB 4.11Å; L80-Y313 HydrophobicContact CD2-CE2 3.9Å |
| 81 | A | 90.9 | Very high | 90 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N55 V58 L77 L85 | N55-A81 HydrophobicContact CB-CB 4.21Å; V58-A81 HydrophobicContact CB-CB 4.12Å; V58-A81 HydrophobicContact CG1-CB 3.83Å; L77-A81 VanDerWaalsContact O-CB 3.32Å; L77-A81 WeakPolarHBondContact O-CB 3.49Å; L77-A81 PolarHBondContact O-N 2.93Å; A81-L85 WeakPolarHBondContact O-CB 3.4Å; A81-L85 WeakPolarHBondContact O-CG 3.43Å; A81-L85 PolarHBondContact O-N 3.23Å |
| 82 | A | 92.3 | Very high | 90.5 | Very high | 38 Ų | 38 | 20.6 Ų | 20.6 | 31% | 0.314 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A78 N79 L80 L85 V86 W163 | A78-A82 VanDerWaalsContact O-CB 3.3Å; A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 3.13Å; N79-A82 PolarHBondContact O-N 3.19Å; L80-A82 VanDerWaalsContact C-N 3.3Å; L80-A82 PolarHBondContact O-N 3.18Å; A82-L85 PolarHBondContact O-N 3.31Å; A82-V86 WeakPolarHBondContact O-CG2 3.26Å; A82-V86 PolarHBondContact O-N 3.42Å; A82-W163 HydrophobicContact CB-CZ2 4.41Å |
| 83 | S | 94 | Very high | 90.9 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.7 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | N79 L80 V86 F87 N121 S125 | N79-S83 PolarHBondContact O-N 3.01Å; N79-S83 PolarHBondContact O-OG 3.34Å; L80-S83 PolarHBondContact O-N 2.99Å; L80-S83 PolarHBondContact O-OG 2.75Å; S83-V86 PolarHBondContact O-N 3.42Å; S83-F87 PolarHBondContact O-N 2.87Å; S83-F87 VanDerWaalsContact O-N 3.08Å; S83-N121 PolarHBondContact O-ND2 3.47Å; S83-S125 PolarHBondContact OG-OG 2.72Å |
| 84 | D | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.5 | -36.1 | -179 | -69.5 | -10.2 | 0 | 0 | 0 | 111.5 | L80 F87 V88 N121 S125 N309 | L80-D84 VanDerWaalsContact O-CB 3.29Å; L80-D84 WeakPolarHBondContact O-CB 3.46Å; L80-D84 PolarHBondContact O-N 2.95Å; D84-F87 WeakPolarHBondContact O-CB 3.42Å; D84-F87 PolarHBondContact O-N 3.22Å; D84-V88 WeakPolarHBondContact O-CG1 3.49Å; D84-V88 WeakPolarHBondContact O-CG2 3.37Å; D84-V88 PolarHBondContact O-N 2.91Å; D84-N121 WeakPolarHBondContact CA-ND2 3.41Å; D84-N121 PolarHBondContact N-ND2 3.25Å; D84-N121 PolarHBondContact OD1-ND2 3.46Å; D84-S125 PolarHBondContact OD1-OG 3.09Å; D84-N309 PolarHBondContact OD2-ND2 3.03Å |
| 85 | L | 93.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 23.3 Ų | 23.3 | 14% | 0.141 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 172.6 | -80.1 | 170.3 | 0 | 0 | 0 | 112.2 | L52 N55 L56 A81 A82 F87 V88 L89 | L52-L85 HydrophobicContact CD2-CD2 4.03Å; N55-L85 HydrophobicContact CB-CD1 4.46Å; N55-L85 HydrophobicContact CB-CD2 3.82Å; N55-L85 HydrophobicContact CB-CG 3.7Å; L56-L85 HydrophobicContact CD2-CD1 4.04Å; L56-L85 HydrophobicContact CD2-CD2 3.98Å; L56-L85 HydrophobicContact CG-CD2 3.78Å; A81-L85 WeakPolarHBondContact O-CB 3.4Å; A81-L85 WeakPolarHBondContact O-CG 3.43Å; A81-L85 PolarHBondContact O-N 3.23Å; A82-L85 PolarHBondContact O-N 3.31Å; L85-F87 VanDerWaalsContact C-N 3.27Å; L85-F87 PolarHBondContact O-N 3.43Å; L85-V88 VanDerWaalsContact O-CG2 3.28Å; L85-V88 WeakPolarHBondContact O-CG2 3.27Å; L85-V88 PolarHBondContact O-N 3.43Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3.31Å |
| 86 | V | 92.6 | Very high | 91.9 | Very high | 74 Ų | 74 | 26.9 Ų | 26.9 | 45% | 0.448 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.9 | -38 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | A82 S83 V117 | A82-V86 WeakPolarHBondContact O-CG2 3.26Å; A82-V86 PolarHBondContact O-N 3.42Å; S83-V86 PolarHBondContact O-N 3.42Å; V86-V117 HydrophobicContact CG1-CG1 3.5Å; V86-V117 VanDerWaalsContact CG1-CG1 3.5Å |
| 87 | F | 93.5 | Very high | 92 | Very high | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.022 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -49.6 | 175.5 | 163.3 | -99.3 | 0 | 0 | 0 | 113.1 | S83 D84 L85 L89 G90 L91 I118 N121 F303 S306 | S83-F87 PolarHBondContact O-N 2.87Å; S83-F87 VanDerWaalsContact O-N 3.08Å; D84-F87 WeakPolarHBondContact O-CB 3.42Å; D84-F87 PolarHBondContact O-N 3.22Å; L85-F87 VanDerWaalsContact C-N 3.27Å; L85-F87 PolarHBondContact O-N 3.43Å; F87-L89 PolarHBondContact O-N 2.93Å; F87-G90 WeakPolarHBondContact O-CA 3.42Å; F87-G90 PolarHBondContact O-N 3.32Å; F87-L91 HydrophobicContact CE1-CD1 3.91Å; F87-L91 HydrophobicContact CE1-CD2 4.14Å; F87-L91 HydrophobicContact CE1-CG 4.14Å; F87-L91 HydrophobicContact CE2-CD2 4.04Å; F87-L91 HydrophobicContact CZ-CD1 4.22Å; F87-L91 HydrophobicContact CZ-CD2 3.61Å; F87-L91 HydrophobicContact CZ-CG 4.1Å; F87-L91 PolarHBondContact O-N 2.94Å; F87-I118 HydrophobicContact CD2-CB 4.24Å; F87-I118 HydrophobicContact CD2-CG1 3.8Å; F87-I118 HydrophobicContact CD2-CG2 4.17Å; F87-I118 HydrophobicContact CE2-CB 4.4Å; F87-I118 HydrophobicContact CE2-CG1 3.99Å; F87-I118 HydrophobicContact CE2-CG2 3.9Å; F87-N121 HydrophobicContact CB-CB 3.74Å; F87-N121 VanDerWaalsContact CB-CG 3.42Å; F87-N121 WeakPolarHBondContact CB-ND2 3.35Å; F87-N121 HydrophobicContact CD2-CB 4.25Å; F87-N121 HydrophobicContact CG-CB 4.25Å; F87-F303 HydrophobicContact CE1-CB 4.48Å; F87-F303 AromaticContact CE2-CD1 3.94Å; F87-F303 HydrophobicContact CE2-CD1 3.94Å; F87-F303 HydrophobicContact CE2-CE1 4.21Å; F87-F303 HydrophobicContact CZ-CB 3.99Å; F87-F303 AromaticContact CZ-CD1 3.48Å; F87-F303 HydrophobicContact CZ-CD1 3.48Å; F87-F303 VanDerWaalsContact CZ-CD1 3.48Å; F87-F303 HydrophobicContact CZ-CE1 4.18Å; F87-F303 AromaticContact CZ-CG 3.89Å; F87-F303 HydrophobicContact CZ-CG 3.89Å; F87-S306 WeakPolarHBondContact CD1-OG 3.43Å; F87-S306 VanDerWaalsContact CE1-OG 3.3Å; F87-S306 WeakPolarHBondContact CE1-OG 3.42Å |
| 88 | V | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -27.9 | -177.2 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | C48 L52 D84 L85 G90 L91 P92 | C48-V88 PolarHBondContact SG-O 2.87Å; L52-V88 HydrophobicContact CD2-CG2 3.6Å; L52-V88 HydrophobicContact CG-CG2 3.74Å; D84-V88 WeakPolarHBondContact O-CG1 3.49Å; D84-V88 WeakPolarHBondContact O-CG2 3.37Å; D84-V88 PolarHBondContact O-N 2.91Å; L85-V88 VanDerWaalsContact O-CG2 3.28Å; L85-V88 WeakPolarHBondContact O-CG2 3.27Å; L85-V88 PolarHBondContact O-N 3.43Å; V88-G90 PolarHBondContact O-N 3.24Å; V88-L91 HydrophobicContact CB-CD1 4.29Å; V88-L91 HydrophobicContact CG1-CD1 4.15Å; V88-L91 WeakPolarHBondContact O-CB 3.49Å; V88-L91 PolarHBondContact O-N 2.98Å; V88-P92 WeakPolarHBondContact O-CD 3.35Å |
| 89 | L | 93.1 | Very high | 92.3 | Very high | 105 Ų | 105 | 33 Ų | 33 | 55% | 0.55 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -22.8 | 171.8 | -69.6 | 172.1 | 0 | 0 | 0 | 113.1 | L52 L85 F87 P92 | L52-L89 HydrophobicContact CD2-CD2 3.88Å; L52-L89 HydrophobicContact CD2-CG 4.26Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3.31Å; F87-L89 PolarHBondContact O-N 2.93Å; L89-P92 WeakPolarHBondContact O-CD 3Å |
| 90 | G | 92.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -83.1 | -19 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F87 V88 F93 | F87-G90 WeakPolarHBondContact O-CA 3.42Å; F87-G90 PolarHBondContact O-N 3.32Å; V88-G90 PolarHBondContact O-N 3.24Å; G90-F93 PolarHBondContact O-N 3.39Å |
| 91 | L | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | -177.1 | -73.2 | -177.8 | 0 | 0 | 0 | 114.9 | I44 I47 C48 F87 V88 F93 W94 A95 F303 | I44-L91 HydrophobicContact CG2-CB 3.66Å; I44-L91 HydrophobicContact CG2-CD1 4.42Å; I44-L91 HydrophobicContact CG2-CD2 4.05Å; I44-L91 HydrophobicContact CG2-CG 4.25Å; I44-L91 WeakPolarHBondContact CG2-O 3.49Å; I47-L91 HydrophobicContact CB-CD1 4.3Å; I47-L91 HydrophobicContact CG2-CD1 3.88Å; C48-L91 HydrophobicContact CB-CB 4.17Å; C48-L91 HydrophobicContact CB-CD1 4.25Å; F87-L91 HydrophobicContact CE1-CD1 3.91Å; F87-L91 HydrophobicContact CE1-CD2 4.14Å; F87-L91 HydrophobicContact CE1-CG 4.14Å; F87-L91 HydrophobicContact CE2-CD2 4.04Å; F87-L91 HydrophobicContact CZ-CD1 4.22Å; F87-L91 HydrophobicContact CZ-CD2 3.61Å; F87-L91 HydrophobicContact CZ-CG 4.1Å; F87-L91 PolarHBondContact O-N 2.94Å; V88-L91 HydrophobicContact CB-CD1 4.29Å; V88-L91 HydrophobicContact CG1-CD1 4.15Å; V88-L91 WeakPolarHBondContact O-CB 3.49Å; V88-L91 PolarHBondContact O-N 2.98Å; L91-F93 VanDerWaalsContact C-N 3.25Å; L91-F93 PolarHBondContact O-N 3.28Å; L91-W94 WeakPolarHBondContact O-CB 3.21Å; L91-W94 PolarHBondContact O-N 2.88Å; L91-A95 PolarHBondContact O-N 3.43Å; L91-F303 HydrophobicContact CD2-CB 4.44Å; L91-F303 HydrophobicContact CD2-CD1 4.36Å; L91-F303 HydrophobicContact CD2-CD2 3.84Å; L91-F303 HydrophobicContact CD2-CE2 4.1Å; L91-F303 HydrophobicContact CD2-CG 3.97Å; L91-F303 HydrophobicContact CD2-CZ 4.46Å |
| 92 | P | 94.1 | Very high | 92 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 33% | 0.331 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58 | -35.8 | 176.6 | -27.4 | 36 | 0 | 0 | 0 | 113.7 | I45 V88 L89 W94 A95 E96 | I45-P92 HydrophobicContact CD1-CB 4.08Å; I45-P92 HydrophobicContact CD1-CG 4.29Å; V88-P92 WeakPolarHBondContact O-CD 3.35Å; L89-P92 WeakPolarHBondContact O-CD 3Å; P92-W94 VanDerWaalsContact C-N 3.32Å; P92-W94 PolarHBondContact O-N 3.44Å; P92-A95 PolarHBondContact O-N 3.02Å; P92-E96 PolarHBondContact O-N 3.49Å |
| 93 | F | 93.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.8 | -34.9 | 176.4 | -61.6 | -91.8 | 0 | 0 | 0 | 112.1 | G90 L91 N97 W104 F106 L110 I114 | G90-F93 PolarHBondContact O-N 3.39Å; L91-F93 VanDerWaalsContact C-N 3.25Å; L91-F93 PolarHBondContact O-N 3.28Å; F93-N97 VanDerWaalsContact O-CB 3.28Å; F93-N97 WeakPolarHBondContact O-CB 3.4Å; F93-N97 PolarHBondContact O-N 3.39Å; F93-W104 HydrophobicContact CB-CH2 4.07Å; F93-F106 HydrophobicContact CB-CD2 4.44Å; F93-F106 HydrophobicContact CB-CE2 4.1Å; F93-F106 AromaticContact CD1-CD1 3.82Å; F93-F106 HydrophobicContact CD1-CD1 3.82Å; F93-F106 AromaticContact CD1-CD2 3.87Å; F93-F106 HydrophobicContact CD1-CD2 3.87Å; F93-F106 AromaticContact CD1-CE1 3.81Å; F93-F106 HydrophobicContact CD1-CE1 3.81Å; F93-F106 AromaticContact CD1-CE2 3.86Å; F93-F106 HydrophobicContact CD1-CE2 3.86Å; F93-F106 AromaticContact CD1-CG 3.84Å; F93-F106 HydrophobicContact CD1-CG 3.84Å; F93-F106 AromaticContact CD1-CZ 3.81Å; F93-F106 HydrophobicContact CD1-CZ 3.81Å; F93-F106 HydrophobicContact CE1-CD1 4.04Å; F93-F106 HydrophobicContact CE1-CE1 4.16Å; F93-F106 HydrophobicContact CE1-CG 4.36Å; F93-F106 HydrophobicContact CG-CE2 4.47Å; F93-L110 HydrophobicContact CE1-CD1 4.42Å; F93-L110 HydrophobicContact CE1-CD2 4.09Å; F93-L110 HydrophobicContact CZ-CD2 4.26Å; F93-I114 HydrophobicContact CB-CD1 3.53Å; F93-I114 HydrophobicContact CB-CG2 4.49Å; F93-I114 HydrophobicContact CD1-CD1 3.51Å; F93-I114 HydrophobicContact CD2-CD1 3.58Å; F93-I114 HydrophobicContact CD2-CG1 4.28Å; F93-I114 HydrophobicContact CE1-CD1 4.04Å; F93-I114 HydrophobicContact CE2-CD1 4.1Å; F93-I114 HydrophobicContact CG-CD1 3.25Å; F93-I114 HydrophobicContact CG-CG1 4.36Å; F93-I114 HydrophobicContact CZ-CD1 4.31Å |
| 94 | W | 90.8 | Very high | 91.8 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 12% | 0.121 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.2 | -40 | 172.9 | -100.3 | 88.1 | 0 | 0 | 0 | 112.1 | L91 P92 N97 I98 N115 I118 | L91-W94 WeakPolarHBondContact O-CB 3.21Å; L91-W94 PolarHBondContact O-N 2.88Å; P92-W94 VanDerWaalsContact C-N 3.32Å; P92-W94 PolarHBondContact O-N 3.44Å; W94-N97 PolarHBondContact O-N 3.4Å; W94-I98 HydrophobicContact CE3-CD1 3.99Å; W94-I98 HydrophobicContact CE3-CG1 4.36Å; W94-I98 WeakPolarHBondContact O-CD1 3.33Å; W94-I98 WeakPolarHBondContact O-CG1 3.42Å; W94-I98 PolarHBondContact O-N 3.47Å; W94-N115 WeakPolarHBondContact CZ2-OD1 3.37Å; W94-N115 PolarHBondContact NE1-OD1 3.25Å; W94-I118 HydrophobicContact CG-CD1 4.34Å; W94-I118 VanDerWaalsContact NE1-CD1 3.31Å |
| 95 | A | 92.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | P41 I44 I45 L91 P92 I98 W99 | P41-A95 HydrophobicContact CB-CB 4.01Å; P41-A95 WeakPolarHBondContact CB-O 2.82Å; P41-A95 WeakPolarHBondContact CG-O 3.32Å; I44-A95 HydrophobicContact CB-CB 4.18Å; I44-A95 HydrophobicContact CG2-CB 3.93Å; I45-A95 HydrophobicContact CD1-CB 3.85Å; I45-A95 HydrophobicContact CG1-CB 3.92Å; L91-A95 PolarHBondContact O-N 3.43Å; P92-A95 PolarHBondContact O-N 3.02Å; A95-I98 PolarHBondContact O-N 2.87Å; A95-W99 VanDerWaalsContact O-CB 3.31Å; A95-W99 WeakPolarHBondContact O-CB 3.46Å; A95-W99 PolarHBondContact O-N 2.82Å |
| 96 | E | 92.9 | Very high | 91.7 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 40% | 0.397 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.1 | -171.1 | 63.6 | -158.1 | 0 | 0 | 111.9 | P92 I98 W99 N100 F106 | P92-E96 PolarHBondContact O-N 3.49Å; E96-I98 VanDerWaalsContact C-N 3.31Å; E96-I98 PolarHBondContact O-N 2.85Å; E96-W99 PolarHBondContact O-N 3.26Å; E96-N100 VanDerWaalsContact O-CB 3.29Å; E96-N100 WeakPolarHBondContact O-CB 3.24Å; E96-N100 PolarHBondContact O-N 2.87Å; E96-F106 HydrophobicContact CB-CE2 4.06Å; E96-F106 HydrophobicContact CB-CZ 3.77Å; E96-F106 HydrophobicContact CG-CE2 4.18Å; E96-F106 HydrophobicContact CG-CZ 3.69Å |
| 97 | N | 91.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -43 | 176.6 | -178.5 | 68.3 | 0 | 0 | 0 | 111.8 | F93 W94 F102 W104 | F93-N97 VanDerWaalsContact O-CB 3.28Å; F93-N97 WeakPolarHBondContact O-CB 3.4Å; F93-N97 PolarHBondContact O-N 3.39Å; W94-N97 PolarHBondContact O-N 3.4Å; N97-F102 WeakPolarHBondContact O-CA 3.45Å; N97-F102 PolarHBondContact O-N 2.83Å; N97-W104 HydrophobicContact CB-CE3 3.83Å; N97-W104 HydrophobicContact CB-CZ3 4.01Å |
| 98 | I | 89.6 | Confident | 91.7 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.8 | -44.3 | 176.1 | -66.7 | 158.7 | 0 | 0 | 0 | 110.2 | H37 L40 P41 I44 W94 A95 E96 N100 Q101 F102 | H37-I98 PolarHBondContact CD2-O 2.99Å; L40-I98 HydrophobicContact CB-CG2 4.42Å; L40-I98 HydrophobicContact CD2-CD1 3.78Å; L40-I98 HydrophobicContact CD2-CG2 4.4Å; L40-I98 HydrophobicContact CG-CD1 4.19Å; P41-I98 HydrophobicContact CG-CB 4.01Å; P41-I98 HydrophobicContact CG-CG2 3.73Å; I44-I98 HydrophobicContact CD1-CD1 3.47Å; I44-I98 VanDerWaalsContact CD1-CD1 3.47Å; W94-I98 HydrophobicContact CE3-CD1 3.99Å; W94-I98 HydrophobicContact CE3-CG1 4.36Å; W94-I98 WeakPolarHBondContact O-CD1 3.33Å; W94-I98 WeakPolarHBondContact O-CG1 3.42Å; W94-I98 PolarHBondContact O-N 3.47Å; A95-I98 PolarHBondContact O-N 2.87Å; E96-I98 VanDerWaalsContact C-N 3.31Å; E96-I98 PolarHBondContact O-N 2.85Å; I98-N100 PolarHBondContact O-N 3.34Å; I98-Q101 PolarHBondContact O-N 3.38Å; I98-F102 HydrophobicContact CG1-CE1 3.86Å; I98-F102 HydrophobicContact CG1-CZ 4.37Å |
| 99 | W | 90.5 | Very high | 91.7 | Very high | 147 Ų | 147 | 53.7 Ų | 53.7 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.9 | -39.6 | 178.3 | -178.2 | -97.7 | 0 | 0 | 0 | 112.4 | P41 A95 E96 Q101 | P41-W99 HydrophobicContact CB-CB 4.39Å; P41-W99 HydrophobicContact CB-CE3 4.42Å; P41-W99 HydrophobicContact CG-CB 4.07Å; P41-W99 HydrophobicContact CG-CE3 4.3Å; A95-W99 VanDerWaalsContact O-CB 3.31Å; A95-W99 WeakPolarHBondContact O-CB 3.46Å; A95-W99 PolarHBondContact O-N 2.82Å; E96-W99 PolarHBondContact O-N 3.26Å; W99-Q101 PolarHBondContact O-N 3.45Å |
| 100 | N | 90.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 28.4 | 178.4 | -158.6 | 25.2 | 0 | 0 | 0 | 113 | E96 I98 F102 N103 | E96-N100 VanDerWaalsContact O-CB 3.29Å; E96-N100 WeakPolarHBondContact O-CB 3.24Å; E96-N100 PolarHBondContact O-N 2.87Å; I98-N100 PolarHBondContact O-N 3.34Å; N100-F102 VanDerWaalsContact C-N 3.3Å; N100-F102 PolarHBondContact O-N 2.94Å; N100-N103 PolarHBondContact ND2-O 3.11Å; N100-N103 WeakPolarHBondContact O-CB 3.36Å; N100-N103 PolarHBondContact O-N 3.41Å |
| 101 | Q | 87.9 | Confident | 91.8 | Very high | 118 Ų | 118 | 51.3 Ų | 51.3 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 44.9 | 176.9 | -60.5 | 179.3 | -26.6 | 0 | 0 | 113.4 | I98 W99 N103 | I98-Q101 PolarHBondContact O-N 3.38Å; W99-Q101 PolarHBondContact O-N 3.45Å; Q101-N103 PolarHBondContact O-N 3.34Å |
| 102 | F | 87.9 | Confident | 91.9 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 13.8 | -177.6 | -54.4 | -78.2 | 0 | 0 | 0 | 115.6 | W33 H37 N97 I98 N100 W104 I187 | W33-F102 HydrophobicContact CZ3-CE2 4.11Å; W33-F102 HydrophobicContact CZ3-CZ 4.34Å; H37-F102 AromaticContact NE2-CD2 3.71Å; H37-F102 AromaticContact NE2-CE2 3.23Å; H37-F102 WeakPolarHBondContact NE2-CE2 3.49Å; N97-F102 WeakPolarHBondContact O-CA 3.45Å; N97-F102 PolarHBondContact O-N 2.83Å; I98-F102 HydrophobicContact CG1-CE1 3.86Å; I98-F102 HydrophobicContact CG1-CZ 4.37Å; N100-F102 VanDerWaalsContact C-N 3.3Å; N100-F102 PolarHBondContact O-N 2.94Å; F102-W104 PolarHBondContact O-N 2.91Å; F102-I187 HydrophobicContact CB-CD1 4.49Å |
| 103 | N | 91.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 56.8 Ų | 56.8 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | trans | -80.6 | 112.9 | 168.9 | -172.9 | 25.3 | 0 | 0 | 0 | 110.3 | N100 Q101 P105 I187 T188 | N100-N103 PolarHBondContact ND2-O 3.11Å; N100-N103 WeakPolarHBondContact O-CB 3.36Å; N100-N103 PolarHBondContact O-N 3.41Å; Q101-N103 PolarHBondContact O-N 3.34Å; N103-P105 WeakPolarHBondContact O-CD 3.47Å; N103-I187 HydrophobicContact CB-CB 3.99Å; N103-I187 HydrophobicContact CB-CG2 3.93Å; N103-T188 PolarHBondContact OD1-N 2.91Å; N103-T188 PolarHBondContact OD1-O 2.86Å; N103-T188 PolarHBondContact OD1-OG1 3.28Å | ||
| 104 | W | 92.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | trans | -89.9 | 105.9 | -172.8 | -178.7 | -88.5 | 0 | 0 | 0 | 112.3 | F93 N97 F102 F106 G107 L110 C111 I114 T188 C190 | F93-W104 HydrophobicContact CB-CH2 4.07Å; N97-W104 HydrophobicContact CB-CE3 3.83Å; N97-W104 HydrophobicContact CB-CZ3 4.01Å; F102-W104 PolarHBondContact O-N 2.91Å; W104-F106 HydrophobicContact CD2-CD2 4.01Å; W104-F106 AromaticContact CE2-CD2 3.77Å; W104-F106 HydrophobicContact CE3-CD2 4.19Å; W104-F106 AromaticContact CH2-CD2 3.92Å; W104-F106 HydrophobicContact CH2-CD2 3.92Å; W104-F106 HydrophobicContact CZ2-CB 3.85Å; W104-F106 AromaticContact CZ2-CD2 3.72Å; W104-F106 HydrophobicContact CZ2-CD2 3.72Å; W104-F106 HydrophobicContact CZ2-CG 4.23Å; W104-F106 HydrophobicContact CZ3-CD2 4.14Å; W104-G107 PolarHBondContact NE1-O 2.92Å; W104-L110 HydrophobicContact CZ2-CB 4.04Å; W104-C111 HydrophobicContact CD2-CB 4.44Å; W104-C111 HydrophobicContact CZ2-CB 4.17Å; W104-I114 HydrophobicContact CH2-CB 4.47Å; W104-I114 HydrophobicContact CH2-CD1 3.75Å; W104-I114 HydrophobicContact CZ2-CD1 3.97Å; W104-T188 WeakPolarHBondContact CB-O 3.33Å; W104-T188 PolarHBondContact N-O 3.4Å; W104-C190 HydrophobicContact CB-CB 4.03Å; W104-C190 HydrophobicContact CD2-CB 3.85Å; W104-C190 HydrophobicContact CE3-CB 4.07Å; W104-C190 HydrophobicContact CG-CB 3.81Å | ||
| 105 | P | 91.8 | Very high | 92 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 49% | 0.494 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10.6 | -174 | 35.8 | -36.6 | 0 | 0 | 0 | 113.9 | N103 G107 | N103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-G107 VanDerWaalsContact C-N 3.33Å; P105-G107 PolarHBondContact O-N 2.81Å |
| 106 | F | 92.2 | Very high | 92.1 | Very high | 63 Ų | 63 | 53 Ų | 53 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.8 | -164.8 | -52.6 | -71.7 | 0 | 0 | 0 | 114.9 | F93 E96 W104 L110 | F93-F106 HydrophobicContact CB-CD2 4.44Å; F93-F106 HydrophobicContact CB-CE2 4.1Å; F93-F106 AromaticContact CD1-CD1 3.82Å; F93-F106 HydrophobicContact CD1-CD1 3.82Å; F93-F106 AromaticContact CD1-CD2 3.87Å; F93-F106 HydrophobicContact CD1-CD2 3.87Å; F93-F106 AromaticContact CD1-CE1 3.81Å; F93-F106 HydrophobicContact CD1-CE1 3.81Å; F93-F106 AromaticContact CD1-CE2 3.86Å; F93-F106 HydrophobicContact CD1-CE2 3.86Å; F93-F106 AromaticContact CD1-CG 3.84Å; F93-F106 HydrophobicContact CD1-CG 3.84Å; F93-F106 AromaticContact CD1-CZ 3.81Å; F93-F106 HydrophobicContact CD1-CZ 3.81Å; F93-F106 HydrophobicContact CE1-CD1 4.04Å; F93-F106 HydrophobicContact CE1-CE1 4.16Å; F93-F106 HydrophobicContact CE1-CG 4.36Å; F93-F106 HydrophobicContact CG-CE2 4.47Å; E96-F106 HydrophobicContact CB-CE2 4.06Å; E96-F106 HydrophobicContact CB-CZ 3.77Å; E96-F106 HydrophobicContact CG-CE2 4.18Å; E96-F106 HydrophobicContact CG-CZ 3.69Å; W104-F106 HydrophobicContact CD2-CD2 4.01Å; W104-F106 AromaticContact CE2-CD2 3.77Å; W104-F106 HydrophobicContact CE3-CD2 4.19Å; W104-F106 AromaticContact CH2-CD2 3.92Å; W104-F106 HydrophobicContact CH2-CD2 3.92Å; W104-F106 HydrophobicContact CZ2-CB 3.85Å; W104-F106 AromaticContact CZ2-CD2 3.72Å; W104-F106 HydrophobicContact CZ2-CD2 3.72Å; W104-F106 HydrophobicContact CZ2-CG 4.23Å; W104-F106 HydrophobicContact CZ3-CD2 4.14Å; F106-L110 HydrophobicContact CB-CB 3.8Å; F106-L110 HydrophobicContact CB-CD1 3.84Å; F106-L110 HydrophobicContact CB-CG 4.43Å; F106-L110 WeakPolarHBondContact O-CD1 3.49Å |
| 107 | G | 92.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | 75.1 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W104 P105 L109 L110 C111 | W104-G107 PolarHBondContact NE1-O 2.92Å; P105-G107 VanDerWaalsContact C-N 3.33Å; P105-G107 PolarHBondContact O-N 2.81Å; G107-L109 PolarHBondContact O-N 2.93Å; G107-L110 PolarHBondContact O-N 3.2Å; G107-C111 PolarHBondContact O-N 3.32Å |
| 108 | A | 92.9 | Very high | 92 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.5 | -33.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C111 R112 I179 | A108-C111 PolarHBondContact O-N 3.24Å; A108-R112 WeakPolarHBondContact O-CG 3.45Å; A108-R112 PolarHBondContact O-N 2.89Å; A108-R112 VanDerWaalsContact O-N 3.09Å; A108-I179 HydrophobicContact CB-CD1 4.2Å; A108-I179 HydrophobicContact CB-CG1 4.44Å; A108-I179 VanDerWaalsContact N-CD1 3.32Å |
| 109 | L | 93.4 | Very high | 92.1 | Very high | 133 Ų | 133 | 52.3 Ų | 52.3 | 70% | 0.696 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.6 | -51.2 | 178.6 | 179.5 | 64.6 | 0 | 0 | 0 | 111.1 | G107 C111 R112 V113 | G107-L109 PolarHBondContact O-N 2.93Å; L109-C111 VanDerWaalsContact C-N 3.34Å; L109-C111 PolarHBondContact O-N 3.13Å; L109-R112 PolarHBondContact O-N 3.23Å; L109-V113 HydrophobicContact CD1-CG2 4.02Å; L109-V113 HydrophobicContact CG-CG2 4.38Å; L109-V113 WeakPolarHBondContact O-CB 2.86Å; L109-V113 WeakPolarHBondContact O-CG2 3.21Å; L109-V113 PolarHBondContact O-N 3.31Å |
| 110 | L | 93.7 | Very high | 92.3 | Very high | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.6 | -36.9 | 179.7 | -81.2 | 158.4 | 0 | 0 | 0 | 111.3 | F93 W104 F106 G107 R112 V113 I114 | F93-L110 HydrophobicContact CE1-CD1 4.42Å; F93-L110 HydrophobicContact CE1-CD2 4.09Å; F93-L110 HydrophobicContact CZ-CD2 4.26Å; W104-L110 HydrophobicContact CZ2-CB 4.04Å; F106-L110 HydrophobicContact CB-CB 3.8Å; F106-L110 HydrophobicContact CB-CD1 3.84Å; F106-L110 HydrophobicContact CB-CG 4.43Å; F106-L110 WeakPolarHBondContact O-CD1 3.49Å; G107-L110 PolarHBondContact O-N 3.2Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 2.84Å; L110-V113 PolarHBondContact O-N 3.47Å; L110-I114 HydrophobicContact CB-CD1 3.97Å; L110-I114 HydrophobicContact CD2-CD1 3.68Å; L110-I114 HydrophobicContact CD2-CG1 4.19Å; L110-I114 HydrophobicContact CG-CD1 4.45Å; L110-I114 VanDerWaalsContact O-CB 3.3Å; L110-I114 WeakPolarHBondContact O-CB 3.04Å; L110-I114 WeakPolarHBondContact O-CD1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.39Å; L110-I114 PolarHBondContact O-N 2.83Å |
| 111 | C | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55 | -45.7 | 172.9 | 166.2 | 0 | 0 | 0 | 0 | 111.5 | W104 G107 A108 L109 N115 I179 C190 | W104-C111 HydrophobicContact CD2-CB 4.44Å; W104-C111 HydrophobicContact CZ2-CB 4.17Å; G107-C111 PolarHBondContact O-N 3.32Å; A108-C111 PolarHBondContact O-N 3.24Å; L109-C111 VanDerWaalsContact C-N 3.34Å; L109-C111 PolarHBondContact O-N 3.13Å; C111-N115 WeakPolarHBondContact O-CB 3.21Å; C111-N115 PolarHBondContact O-ND2 2.83Å; C111-I179 HydrophobicContact CB-CG1 4.18Å; C111-C190 VanDerWaalsContact CA-SG 3.56Å; C111-C190 HydrophobicContact CB-CB 3.86Å; C111-C190 WeakPolarHBondContact CB-SG 3.33Å; C111-C190 WeakPolarHBondContact SG-CB 3.24Å; C111-C190 CovalentContact SG-SG 2.03Å; C111-C190 PolarHBondContact SG-SG 3.49Å |
| 112 | R | 94.8 | Very high | 92.5 | Very high | 104 Ų | 104 | 38.2 Ų | 38.2 | 39% | 0.392 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.5 | -50 | 177.5 | -70 | 175.4 | -175.3 | 175.5 | 7 | 112.4 | A108 L109 L110 G116 F174 R177 | A108-R112 WeakPolarHBondContact O-CG 3.45Å; A108-R112 PolarHBondContact O-N 2.89Å; A108-R112 VanDerWaalsContact O-N 3.09Å; L109-R112 PolarHBondContact O-N 3.23Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 2.84Å; R112-G116 PolarHBondContact O-N 2.85Å; R112-F174 WeakPolarHBondContact CD-O 3.27Å; R112-F174 WeakPolarHBondContact CG-O 3.37Å; R112-R177 HydrophobicContact CG-CB 4.12Å; R112-R177 WeakPolarHBondContact CG-O 3.38Å; R112-R177 PolarHBondContact NE-O 2.86Å |
| 113 | V | 93.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 36 Ų | 36 | 37% | 0.37 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.2 | -49.4 | -172.2 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | L109 L110 G116 V117 | L109-V113 HydrophobicContact CD1-CG2 4.02Å; L109-V113 HydrophobicContact CG-CG2 4.38Å; L109-V113 WeakPolarHBondContact O-CB 2.86Å; L109-V113 WeakPolarHBondContact O-CG2 3.21Å; L109-V113 PolarHBondContact O-N 3.31Å; L110-V113 PolarHBondContact O-N 3.47Å; V113-G116 PolarHBondContact O-N 3.31Å; V113-V117 HydrophobicContact CG1-CG2 4.28Å; V113-V117 VanDerWaalsContact O-CB 3.27Å; V113-V117 WeakPolarHBondContact O-CB 3.39Å; V113-V117 WeakPolarHBondContact O-CG2 3.2Å; V113-V117 PolarHBondContact O-N 2.89Å |
| 114 | I | 93.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -47.9 | -176.3 | -68.4 | 160.4 | 0 | 0 | 0 | 110.5 | F93 W104 L110 G116 V117 I118 | F93-I114 HydrophobicContact CB-CD1 3.53Å; F93-I114 HydrophobicContact CB-CG2 4.49Å; F93-I114 HydrophobicContact CD1-CD1 3.51Å; F93-I114 HydrophobicContact CD2-CD1 3.58Å; F93-I114 HydrophobicContact CD2-CG1 4.28Å; F93-I114 HydrophobicContact CE1-CD1 4.04Å; F93-I114 HydrophobicContact CE2-CD1 4.1Å; F93-I114 HydrophobicContact CG-CD1 3.25Å; F93-I114 HydrophobicContact CG-CG1 4.36Å; F93-I114 HydrophobicContact CZ-CD1 4.31Å; W104-I114 HydrophobicContact CH2-CB 4.47Å; W104-I114 HydrophobicContact CH2-CD1 3.75Å; W104-I114 HydrophobicContact CZ2-CD1 3.97Å; L110-I114 HydrophobicContact CB-CD1 3.97Å; L110-I114 HydrophobicContact CD2-CD1 3.68Å; L110-I114 HydrophobicContact CD2-CG1 4.19Å; L110-I114 HydrophobicContact CG-CD1 4.45Å; L110-I114 VanDerWaalsContact O-CB 3.3Å; L110-I114 WeakPolarHBondContact O-CB 3.04Å; L110-I114 WeakPolarHBondContact O-CD1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.39Å; L110-I114 PolarHBondContact O-N 2.83Å; I114-G116 PolarHBondContact O-N 2.91Å; I114-V117 PolarHBondContact O-N 3.47Å; I114-I118 HydrophobicContact CG2-CD1 3.71Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CB 3.37Å; I114-I118 VanDerWaalsContact O-CG1 3.25Å; I114-I118 WeakPolarHBondContact O-CG1 3.2Å; I114-I118 PolarHBondContact O-N 3.39Å |
| 115 | N | 92.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 179.8 | -74.5 | -81.2 | 0 | 0 | 0 | 112.2 | W94 C111 I118 K119 T173 R177 C190 | W94-N115 WeakPolarHBondContact CZ2-OD1 3.37Å; W94-N115 PolarHBondContact NE1-OD1 3.25Å; C111-N115 WeakPolarHBondContact O-CB 3.21Å; C111-N115 PolarHBondContact O-ND2 2.83Å; N115-I118 PolarHBondContact O-N 3.49Å; N115-K119 WeakPolarHBondContact O-CB 3.37Å; N115-K119 PolarHBondContact O-N 3.03Å; N115-T173 HydrophobicContact CB-CG2 4.05Å; N115-R177 HydrophobicContact CB-CG 4.05Å; N115-R177 PolarHBondContact OD1-NE 3.27Å; N115-R177 PolarHBondContact OD1-NH2 3.15Å; N115-R177 VanDerWaalsContact OD1-NH2 3.16Å; N115-C190 PolarHBondContact ND2-SG 2.81Å; N115-C190 VanDerWaalsContact ND2-SG 3.38Å |
| 116 | G | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R112 V113 I114 K119 A120 F174 | R112-G116 PolarHBondContact O-N 2.85Å; V113-G116 PolarHBondContact O-N 3.31Å; I114-G116 PolarHBondContact O-N 2.91Å; G116-K119 WeakPolarHBondContact O-CB 3.23Å; G116-K119 PolarHBondContact O-N 2.93Å; G116-A120 WeakPolarHBondContact O-CB 3.13Å; G116-A120 PolarHBondContact O-N 2.87Å; G116-F174 VanDerWaalsContact C-CE2 3.49Å; G116-F174 VanDerWaalsContact CA-CZ 3.49Å |
| 117 | V | 92.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 29.1 Ų | 29.1 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.6 | 163.3 | 0 | 0 | 0 | 0 | 111.7 | V86 V113 I114 K119 A120 N121 F174 | V86-V117 HydrophobicContact CG1-CG1 3.5Å; V86-V117 VanDerWaalsContact CG1-CG1 3.5Å; V113-V117 HydrophobicContact CG1-CG2 4.28Å; V113-V117 VanDerWaalsContact O-CB 3.27Å; V113-V117 WeakPolarHBondContact O-CB 3.39Å; V113-V117 WeakPolarHBondContact O-CG2 3.2Å; V113-V117 PolarHBondContact O-N 2.89Å; I114-V117 PolarHBondContact O-N 3.47Å; V117-K119 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 2.65Å; V117-A120 WeakPolarHBondContact O-CB 3.37Å; V117-A120 PolarHBondContact O-N 3.2Å; V117-N121 PolarHBondContact O-N 3.4Å; V117-F174 HydrophobicContact CG2-CE1 4.45Å; V117-F174 HydrophobicContact CG2-CZ 4.19Å |
| 118 | I | 90.8 | Very high | 92.5 | Very high | 24 Ų | 24 | 27.6 Ų | 27.6 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.2 | -72.7 | 166.7 | 0 | 0 | 0 | 110.3 | F87 W94 I114 N115 A120 N121 L122 | F87-I118 HydrophobicContact CD2-CB 4.24Å; F87-I118 HydrophobicContact CD2-CG1 3.8Å; F87-I118 HydrophobicContact CD2-CG2 4.17Å; F87-I118 HydrophobicContact CE2-CB 4.4Å; F87-I118 HydrophobicContact CE2-CG1 3.99Å; F87-I118 HydrophobicContact CE2-CG2 3.9Å; W94-I118 HydrophobicContact CG-CD1 4.34Å; W94-I118 VanDerWaalsContact NE1-CD1 3.31Å; I114-I118 HydrophobicContact CG2-CD1 3.71Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CB 3.37Å; I114-I118 VanDerWaalsContact O-CG1 3.25Å; I114-I118 WeakPolarHBondContact O-CG1 3.2Å; I114-I118 PolarHBondContact O-N 3.39Å; N115-I118 PolarHBondContact O-N 3.49Å; I118-A120 PolarHBondContact O-N 3.21Å; I118-N121 PolarHBondContact O-N 2.93Å; I118-L122 PolarHBondContact O-N 3.35Å; I118-L122 VanDerWaalsContact O-N 3.12Å |
| 119 | K | 91.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 26 Ų | 26 | 10% | 0.096 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 175.5 | -172.5 | 76.6 | 175.2 | -161.7 | 0 | 112.3 | N115 G116 V117 L122 F123 T173 E206 L207 | N115-K119 WeakPolarHBondContact O-CB 3.37Å; N115-K119 PolarHBondContact O-N 3.03Å; G116-K119 WeakPolarHBondContact O-CB 3.23Å; G116-K119 PolarHBondContact O-N 2.93Å; V117-K119 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 2.65Å; K119-L122 WeakPolarHBondContact O-CB 3.45Å; K119-L122 PolarHBondContact O-N 2.72Å; K119-F123 HydrophobicContact CD-CE2 4.2Å; K119-F123 HydrophobicContact CG-CE2 4.12Å; K119-F123 WeakPolarHBondContact O-CD2 3.35Å; K119-T173 HydrophobicContact CB-CG2 4.19Å; K119-E206 WeakPolarHBondContact CE-OE1 3.4Å; K119-E206 IonicContact NZ-OE1 2.74Å; K119-E206 PolarHBondContact NZ-OE1 2.85Å; K119-E206 IonicContact NZ-OE2 3.24Å; K119-L207 VanDerWaalsContact NZ-CG 3.26Å |
| 120 | A | 93.9 | Very high | 92 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 11% | 0.107 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G116 V117 I118 L122 F123 I124 S170 | G116-A120 WeakPolarHBondContact O-CB 3.13Å; G116-A120 PolarHBondContact O-N 2.87Å; V117-A120 WeakPolarHBondContact O-CB 3.37Å; V117-A120 PolarHBondContact O-N 3.2Å; I118-A120 PolarHBondContact O-N 3.21Å; A120-L122 VanDerWaalsContact C-N 3.32Å; A120-L122 PolarHBondContact O-N 3.09Å; A120-F123 PolarHBondContact O-N 3.04Å; A120-I124 HydrophobicContact CB-CD1 4.29Å; A120-I124 WeakPolarHBondContact O-CB 2.92Å; A120-I124 WeakPolarHBondContact O-CD1 3.43Å; A120-I124 VanDerWaalsContact O-CG1 3.24Å; A120-I124 WeakPolarHBondContact O-CG1 3.49Å; A120-I124 PolarHBondContact O-N 3.19Å; A120-S170 WeakPolarHBondContact CB-OG 3.46Å |
| 121 | N | 92.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 3% | 0.032 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 176.6 | 173.2 | -88.1 | 0 | 0 | 0 | 111.6 | S83 D84 F87 V117 I118 F123 I124 S125 | S83-N121 PolarHBondContact O-ND2 3.47Å; D84-N121 WeakPolarHBondContact CA-ND2 3.41Å; D84-N121 PolarHBondContact N-ND2 3.25Å; D84-N121 PolarHBondContact OD1-ND2 3.46Å; F87-N121 HydrophobicContact CB-CB 3.74Å; F87-N121 VanDerWaalsContact CB-CG 3.42Å; F87-N121 WeakPolarHBondContact CB-ND2 3.35Å; F87-N121 HydrophobicContact CD2-CB 4.25Å; F87-N121 HydrophobicContact CG-CB 4.25Å; V117-N121 PolarHBondContact O-N 3.4Å; I118-N121 PolarHBondContact O-N 2.93Å; N121-F123 VanDerWaalsContact C-N 3.32Å; N121-F123 PolarHBondContact O-N 3.24Å; N121-I124 PolarHBondContact O-N 3.2Å; N121-S125 PolarHBondContact ND2-OG 2.9Å; N121-S125 VanDerWaalsContact O-CB 3.27Å; N121-S125 WeakPolarHBondContact O-CB 3.19Å; N121-S125 PolarHBondContact O-N 3.43Å; N121-S125 PolarHBondContact O-OG 3.43Å |
| 122 | L | 89.4 | Confident | 91.4 | Very high | 10 Ų | 10 | 19 Ų | 19 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -48.9 | -53 | 176.2 | 178 | 158.2 | 0 | 0 | 0 | 111.5 | I118 K119 A120 I126 L207 W264 Y267 | I118-L122 PolarHBondContact O-N 3.35Å; I118-L122 VanDerWaalsContact O-N 3.12Å; K119-L122 WeakPolarHBondContact O-CB 3.45Å; K119-L122 PolarHBondContact O-N 2.72Å; A120-L122 VanDerWaalsContact C-N 3.32Å; A120-L122 PolarHBondContact O-N 3.09Å; L122-I126 WeakPolarHBondContact O-CB 3.11Å; L122-I126 WeakPolarHBondContact O-CG2 3.27Å; L122-I126 PolarHBondContact O-N 2.88Å; L122-L207 HydrophobicContact CD1-CD2 4.3Å; L122-W264 HydrophobicContact CB-CH2 3.78Å; L122-W264 HydrophobicContact CB-CZ3 4.21Å; L122-W264 HydrophobicContact CD1-CE3 4.32Å; L122-W264 HydrophobicContact CD1-CH2 3.81Å; L122-W264 HydrophobicContact CD1-CZ3 3.34Å; L122-W264 HydrophobicContact CG-CE3 4.37Å; L122-W264 HydrophobicContact CG-CH2 3.49Å; L122-W264 VanDerWaalsContact CG-CH2 3.49Å; L122-W264 HydrophobicContact CG-CZ2 4.47Å; L122-W264 HydrophobicContact CG-CZ3 3.44Å; L122-W264 VanDerWaalsContact CG-CZ3 3.44Å; L122-Y267 HydrophobicContact CD1-CE1 4.29Å |
| 123 | F | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.6 | -38.4 | -179.5 | -66.9 | -61.3 | 0 | 0 | 0 | 113.7 | K119 A120 N121 I126 F127 L169 E206 | K119-F123 HydrophobicContact CD-CE2 4.2Å; K119-F123 HydrophobicContact CG-CE2 4.12Å; K119-F123 WeakPolarHBondContact O-CD2 3.35Å; A120-F123 PolarHBondContact O-N 3.04Å; N121-F123 VanDerWaalsContact C-N 3.32Å; N121-F123 PolarHBondContact O-N 3.24Å; F123-I126 VanDerWaalsContact O-CG2 3.27Å; F123-I126 WeakPolarHBondContact O-CG2 3.2Å; F123-F127 HydrophobicContact CB-CD2 4.36Å; F123-F127 HydrophobicContact CB-CE2 4.01Å; F123-F127 HydrophobicContact CD1-CE2 4.4Å; F123-F127 HydrophobicContact CD1-CZ 4.28Å; F123-F127 WeakPolarHBondContact O-CB 3.12Å; F123-F127 WeakPolarHBondContact O-CD2 3.44Å; F123-F127 WeakPolarHBondContact O-CG 3.12Å; F123-F127 PolarHBondContact O-N 3.47Å; F123-F127 VanDerWaalsContact O-N 3.09Å; F123-L169 HydrophobicContact CB-CD1 4.4Å; F123-L169 HydrophobicContact CD1-CD1 3.76Å; F123-L169 HydrophobicContact CD2-CB 3.6Å; F123-L169 HydrophobicContact CD2-CD1 4.13Å; F123-L169 HydrophobicContact CE1-CD1 4.01Å; F123-L169 HydrophobicContact CE2-CB 3.57Å; F123-L169 HydrophobicContact CE2-CD1 4.33Å; F123-L169 HydrophobicContact CG-CB 4.18Å; F123-L169 HydrophobicContact CG-CD1 3.84Å; F123-L169 HydrophobicContact CZ-CB 4.16Å; F123-L169 HydrophobicContact CZ-CD1 4.3Å; F123-E206 HydrophobicContact CE2-CG 4.39Å; F123-E206 WeakPolarHBondContact CE2-OE1 3.2Å; F123-E206 HydrophobicContact CZ-CG 3.77Å; F123-E206 WeakPolarHBondContact CZ-OE1 3.37Å |
| 124 | I | 93.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.9 | -50 | 179.7 | -69.3 | 163.1 | 0 | 0 | 0 | 109.8 | A120 N121 I126 F127 L128 I162 W163 | A120-I124 HydrophobicContact CB-CD1 4.29Å; A120-I124 WeakPolarHBondContact O-CB 2.92Å; A120-I124 WeakPolarHBondContact O-CD1 3.43Å; A120-I124 VanDerWaalsContact O-CG1 3.24Å; A120-I124 WeakPolarHBondContact O-CG1 3.49Å; A120-I124 PolarHBondContact O-N 3.19Å; N121-I124 PolarHBondContact O-N 3.2Å; I124-I126 PolarHBondContact O-N 3.4Å; I124-F127 PolarHBondContact O-N 3.39Å; I124-L128 HydrophobicContact CG2-CD1 3.69Å; I124-L128 HydrophobicContact CG2-CG 4.35Å; I124-L128 WeakPolarHBondContact O-CB 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.46Å; I124-L128 PolarHBondContact O-N 3.04Å; I124-I162 HydrophobicContact CB-CG2 4.3Å; I124-I162 HydrophobicContact CG1-CG2 4.39Å; I124-I162 HydrophobicContact CG2-CG2 4.1Å; I124-W163 HydrophobicContact CD1-CD2 3.97Å; I124-W163 HydrophobicContact CD1-CE3 3.44Å; I124-W163 VanDerWaalsContact CD1-CE3 3.44Å; I124-W163 HydrophobicContact CD1-CH2 4.35Å; I124-W163 HydrophobicContact CD1-CZ3 3.67Å; I124-W163 HydrophobicContact CG1-CE3 4.49Å; I124-W163 HydrophobicContact CG2-CZ2 4.48Å |
| 125 | S | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | -177 | -66 | 0 | 0 | 0 | 0 | 111.4 | S83 D84 N121 L128 V129 | S83-S125 PolarHBondContact OG-OG 2.72Å; D84-S125 PolarHBondContact OD1-OG 3.09Å; N121-S125 PolarHBondContact ND2-OG 2.9Å; N121-S125 VanDerWaalsContact O-CB 3.27Å; N121-S125 WeakPolarHBondContact O-CB 3.19Å; N121-S125 PolarHBondContact O-N 3.43Å; N121-S125 PolarHBondContact O-OG 3.43Å; S125-L128 PolarHBondContact O-N 2.76Å; S125-V129 WeakPolarHBondContact O-CG2 3.47Å; S125-V129 PolarHBondContact O-N 3.43Å |
| 126 | I | 88.5 | Confident | 89.7 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.5 | -43.7 | 178 | -165.8 | 169.3 | 0 | 0 | 0 | 112.9 | L122 F123 I124 L128 V129 V130 G211 P215 F260 | L122-I126 WeakPolarHBondContact O-CB 3.11Å; L122-I126 WeakPolarHBondContact O-CG2 3.27Å; L122-I126 PolarHBondContact O-N 2.88Å; F123-I126 VanDerWaalsContact O-CG2 3.27Å; F123-I126 WeakPolarHBondContact O-CG2 3.2Å; I124-I126 PolarHBondContact O-N 3.4Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 3.29Å; I126-V129 PolarHBondContact O-N 2.94Å; I126-V130 WeakPolarHBondContact O-CG2 3.48Å; I126-V130 PolarHBondContact O-N 3.27Å; I126-G211 WeakPolarHBondContact CD1-O 3.46Å; I126-P215 HydrophobicContact CD1-CB 3.46Å; I126-P215 VanDerWaalsContact CD1-CB 3.46Å; I126-P215 HydrophobicContact CD1-CG 3.54Å; I126-P215 HydrophobicContact CG1-CB 3.52Å; I126-P215 HydrophobicContact CG1-CG 3.86Å; I126-P215 HydrophobicContact CG2-CG 4.5Å; I126-F260 HydrophobicContact CB-CE2 4.28Å; I126-F260 HydrophobicContact CD1-CE1 4.42Å; I126-F260 HydrophobicContact CD1-CE2 3.54Å; I126-F260 HydrophobicContact CD1-CZ 3.27Å; I126-F260 HydrophobicContact CG1-CE2 3.53Å; I126-F260 HydrophobicContact CG1-CZ 3.71Å |
| 127 | F | 92.9 | Very high | 89.2 | Confident | 39 Ų | 39 | 19.4 Ų | 19.4 | 17% | 0.171 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.9 | -31 | 178.1 | -63.8 | -32.5 | 0 | 0 | 0 | 112.3 | F123 I124 V130 A131 I162 V165 L169 P215 | F123-F127 HydrophobicContact CB-CD2 4.36Å; F123-F127 HydrophobicContact CB-CE2 4.01Å; F123-F127 HydrophobicContact CD1-CE2 4.4Å; F123-F127 HydrophobicContact CD1-CZ 4.28Å; F123-F127 WeakPolarHBondContact O-CB 3.12Å; F123-F127 WeakPolarHBondContact O-CD2 3.44Å; F123-F127 WeakPolarHBondContact O-CG 3.12Å; F123-F127 PolarHBondContact O-N 3.47Å; F123-F127 VanDerWaalsContact O-N 3.09Å; I124-F127 PolarHBondContact O-N 3.39Å; F127-V130 PolarHBondContact O-N 3.07Å; F127-A131 WeakPolarHBondContact O-CB 3.24Å; F127-A131 PolarHBondContact O-N 3.43Å; F127-I162 HydrophobicContact CB-CB 4.45Å; F127-I162 HydrophobicContact CB-CD1 4.12Å; F127-I162 HydrophobicContact CB-CG1 3.87Å; F127-I162 HydrophobicContact CB-CG2 3.8Å; F127-I162 HydrophobicContact CD2-CG2 4.42Å; F127-V165 HydrophobicContact CE2-CG1 3.84Å; F127-L169 HydrophobicContact CE2-CD1 3.95Å; F127-L169 HydrophobicContact CZ-CD1 4.07Å; F127-P215 HydrophobicContact CD1-CG 4.45Å; F127-P215 HydrophobicContact CE1-CG 4.14Å |
| 128 | L | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 170.9 | -75.4 | 169.9 | 0 | 0 | 0 | 111.6 | Y76 N79 L80 I124 S125 I126 A131 I132 I162 | Y76-L128 HydrophobicContact CD1-CD2 3.93Å; N79-L128 HydrophobicContact CB-CD1 3.97Å; N79-L128 HydrophobicContact CB-CD2 4Å; L80-L128 HydrophobicContact CB-CD1 3.96Å; L80-L128 HydrophobicContact CD1-CB 4.31Å; L80-L128 HydrophobicContact CD1-CD1 4.12Å; I124-L128 HydrophobicContact CG2-CD1 3.69Å; I124-L128 HydrophobicContact CG2-CG 4.35Å; I124-L128 WeakPolarHBondContact O-CB 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.46Å; I124-L128 PolarHBondContact O-N 3.04Å; S125-L128 PolarHBondContact O-N 2.76Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 3.29Å; L128-A131 PolarHBondContact O-N 2.93Å; L128-I132 VanDerWaalsContact O-CG1 3.23Å; L128-I132 WeakPolarHBondContact O-CG1 3.29Å; L128-I132 PolarHBondContact O-N 2.87Å; L128-I162 HydrophobicContact CD2-CD1 3.91Å; L128-I162 HydrophobicContact CG-CD1 4.28Å; L128-I162 HydrophobicContact CG-CG2 4.22Å |
| 129 | V | 85.4 | Confident | 88.4 | Confident | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.055 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | S125 I126 A131 I132 S133 I219 | S125-V129 WeakPolarHBondContact O-CG2 3.47Å; S125-V129 PolarHBondContact O-N 3.43Å; I126-V129 PolarHBondContact O-N 2.94Å; V129-A131 VanDerWaalsContact C-N 3.34Å; V129-A131 PolarHBondContact O-N 3.03Å; V129-I132 WeakPolarHBondContact O-CB 3.28Å; V129-I132 PolarHBondContact O-N 2.82Å; V129-S133 PolarHBondContact O-N 3.11Å; V129-S133 PolarHBondContact O-OG 3.17Å; V129-I219 HydrophobicContact CG1-CD1 3.81Å; V129-I219 HydrophobicContact CG1-CG1 4.48Å |
| 130 | V | 89.9 | Confident | 87.7 | Confident | 26 Ų | 26 | 23.1 Ų | 23.1 | 16% | 0.158 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 174.2 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | I126 F127 I132 S133 Q134 P215 A218 I219 F222 | I126-V130 WeakPolarHBondContact O-CG2 3.48Å; I126-V130 PolarHBondContact O-N 3.27Å; F127-V130 PolarHBondContact O-N 3.07Å; V130-I132 VanDerWaalsContact C-N 3.32Å; V130-I132 PolarHBondContact O-N 3.18Å; V130-S133 PolarHBondContact O-N 3.3Å; V130-Q134 WeakPolarHBondContact O-CB 3.09Å; V130-Q134 PolarHBondContact O-N 3.45Å; V130-P215 HydrophobicContact CG2-CB 3.74Å; V130-A218 HydrophobicContact CG1-CB 3.97Å; V130-I219 HydrophobicContact CG2-CD1 4.03Å; V130-I219 HydrophobicContact CG2-CG1 3.91Å; V130-F222 HydrophobicContact CG1-CE2 4.26Å |
| 131 | A | 91.2 | Very high | 87 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y76 F127 L128 V129 D135 T158 I162 | Y76-A131 HydrophobicContact CD1-CB 4.23Å; Y76-A131 HydrophobicContact CE1-CB 3.78Å; Y76-A131 HydrophobicContact CE2-CB 4.47Å; F127-A131 WeakPolarHBondContact O-CB 3.24Å; F127-A131 PolarHBondContact O-N 3.43Å; L128-A131 PolarHBondContact O-N 2.93Å; V129-A131 VanDerWaalsContact C-N 3.34Å; V129-A131 PolarHBondContact O-N 3.03Å; A131-D135 WeakPolarHBondContact O-CB 3.5Å; A131-D135 PolarHBondContact O-N 3.17Å; A131-T158 HydrophobicContact CB-CG2 4.12Å; A131-I162 HydrophobicContact CB-CD1 4.1Å |
| 132 | I | 85.6 | Confident | 86.3 | Confident | 17 Ų | 17 | 28.6 Ų | 28.6 | 9% | 0.087 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 172.9 | -69.6 | 165.8 | 0 | 0 | 0 | 110.1 | Y76 L77 L128 V129 V130 Q134 D135 R136 Y313 | Y76-I132 HydrophobicContact CD2-CG1 4.03Å; Y76-I132 HydrophobicContact CG-CG1 3.99Å; L77-I132 HydrophobicContact CD2-CD1 4.29Å; L128-I132 VanDerWaalsContact O-CG1 3.23Å; L128-I132 WeakPolarHBondContact O-CG1 3.29Å; L128-I132 PolarHBondContact O-N 2.87Å; V129-I132 WeakPolarHBondContact O-CB 3.28Å; V129-I132 PolarHBondContact O-N 2.82Å; V130-I132 VanDerWaalsContact C-N 3.32Å; V130-I132 PolarHBondContact O-N 3.18Å; I132-Q134 VanDerWaalsContact C-N 3.34Å; I132-Q134 PolarHBondContact O-N 3.21Å; I132-D135 PolarHBondContact O-N 2.99Å; I132-R136 WeakPolarHBondContact O-CG 3.46Å; I132-R136 PolarHBondContact O-N 3.42Å; I132-Y313 WeakPolarHBondContact CD1-OH 3.5Å |
| 133 | S | 83.6 | Confident | 85.4 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 176.5 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | V129 V130 D135 R136 Y137 | V129-S133 PolarHBondContact O-N 3.11Å; V129-S133 PolarHBondContact O-OG 3.17Å; V130-S133 PolarHBondContact O-N 3.3Å; S133-D135 PolarHBondContact O-N 3.36Å; S133-R136 PolarHBondContact O-N 3.32Å; S133-Y137 WeakPolarHBondContact O-CB 3.3Å; S133-Y137 PolarHBondContact O-N 3.38Å |
| 134 | Q | 88.1 | Confident | 84.1 | Confident | 57 Ų | 57 | 36.7 Ų | 36.7 | 27% | 0.266 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.3 | -171.4 | -173.5 | 36.3 | 0 | 0 | 112 | V130 I132 R136 Y137 R138 F222 | V130-Q134 WeakPolarHBondContact O-CB 3.09Å; V130-Q134 PolarHBondContact O-N 3.45Å; I132-Q134 VanDerWaalsContact C-N 3.34Å; I132-Q134 PolarHBondContact O-N 3.21Å; Q134-R136 VanDerWaalsContact C-N 3.34Å; Q134-R136 PolarHBondContact O-N 3.1Å; Q134-Y137 WeakPolarHBondContact O-CB 3.37Å; Q134-Y137 PolarHBondContact O-N 2.92Å; Q134-R138 WeakPolarHBondContact O-CG 3.49Å; Q134-R138 PolarHBondContact O-N 3.29Å; Q134-F222 HydrophobicContact CB-CD2 4.13Å; Q134-F222 HydrophobicContact CB-CE1 4.39Å; Q134-F222 HydrophobicContact CB-CE2 3.75Å; Q134-F222 HydrophobicContact CB-CZ 3.91Å; Q134-F222 HydrophobicContact CG-CE1 4.02Å; Q134-F222 HydrophobicContact CG-CE2 4.11Å; Q134-F222 HydrophobicContact CG-CZ 3.72Å |
| 135 | D | 85.2 | Confident | 82.4 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.6 | -177.1 | 69.4 | 0 | 0 | 0 | 111.8 | V72 Y76 A131 I132 S133 R138 V139 R151 | V72-D135 HydrophobicContact CG1-CB 4.3Å; V72-D135 VanDerWaalsContact CG1-CG 3.46Å; V72-D135 VanDerWaalsContact CG1-OD1 3.26Å; V72-D135 WeakPolarHBondContact CG1-OD1 3.26Å; Y76-D135 HydrophobicContact CE2-CB 4.04Å; A131-D135 WeakPolarHBondContact O-CB 3.5Å; A131-D135 PolarHBondContact O-N 3.17Å; I132-D135 PolarHBondContact O-N 2.99Å; S133-D135 PolarHBondContact O-N 3.36Å; D135-R138 PolarHBondContact O-N 3.09Å; D135-V139 WeakPolarHBondContact O-CG2 3.4Å; D135-V139 PolarHBondContact O-N 3.35Å; D135-R151 VanDerWaalsContact CG-NH2 3.33Å; D135-R151 IonicContact OD1-CZ 3.61Å; D135-R151 IonicContact OD1-NE 3.76Å; D135-R151 IonicContact OD1-NH2 2.64Å; D135-R151 PolarHBondContact OD1-NH2 3.35Å; D135-R151 IonicContact OD2-NH2 3.28Å; D135-R151 PolarHBondContact OD2-NH2 3.33Å |
| 136 | R | 81.1 | Confident | 80.9 | Confident | 71 Ų | 71 | 47 Ų | 47 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 175 | -67.4 | -57.9 | 83.3 | -159.5 | 3.6 | 111.5 | I132 S133 Q134 R138 V139 L140 I226 | I132-R136 WeakPolarHBondContact O-CG 3.46Å; I132-R136 PolarHBondContact O-N 3.42Å; S133-R136 PolarHBondContact O-N 3.32Å; Q134-R136 VanDerWaalsContact C-N 3.34Å; Q134-R136 PolarHBondContact O-N 3.1Å; R136-R138 PolarHBondContact O-N 2.87Å; R136-V139 PolarHBondContact O-N 3.02Å; R136-L140 WeakPolarHBondContact O-CB 3.12Å; R136-L140 WeakPolarHBondContact O-CG 3.38Å; R136-L140 PolarHBondContact O-N 3.03Å; R136-I226 HydrophobicContact CB-CD1 4.13Å |
| 137 | Y | 83.4 | Confident | 80.5 | Confident | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.7 | -50.3 | 174.5 | 168.1 | -101.6 | 0 | 0 | 0 | 111.5 | S133 Q134 V139 L140 V141 H142 F222 H225 I226 | S133-Y137 WeakPolarHBondContact O-CB 3.3Å; S133-Y137 PolarHBondContact O-N 3.38Å; Q134-Y137 WeakPolarHBondContact O-CB 3.37Å; Q134-Y137 PolarHBondContact O-N 2.92Å; Y137-V139 VanDerWaalsContact C-N 3.33Å; Y137-V139 PolarHBondContact O-N 2.84Å; Y137-L140 PolarHBondContact O-N 3.03Å; Y137-V141 HydrophobicContact CD2-CB 3.98Å; Y137-V141 HydrophobicContact CD2-CG2 3.45Å; Y137-V141 VanDerWaalsContact CD2-CG2 3.45Å; Y137-V141 HydrophobicContact CE2-CB 3.75Å; Y137-V141 HydrophobicContact CE2-CG1 3.87Å; Y137-V141 HydrophobicContact CE2-CG2 3.54Å; Y137-V141 HydrophobicContact CG-CG2 4.38Å; Y137-V141 VanDerWaalsContact O-CB 3.3Å; Y137-V141 WeakPolarHBondContact O-CB 3.43Å; Y137-V141 WeakPolarHBondContact O-CG2 3.45Å; Y137-V141 PolarHBondContact O-N 3.2Å; Y137-H142 AromaticContact CE1-ND1 3.98Å; Y137-H142 AromaticContact CZ-CE1 3.87Å; Y137-H142 AromaticContact CZ-ND1 3.95Å; Y137-H142 PolarHBondContact OH-CE1 2.88Å; Y137-F222 AromaticContact CD1-CD1 3.95Å; Y137-F222 HydrophobicContact CD1-CD1 3.95Å; Y137-F222 HydrophobicContact CD1-CE1 4.29Å; Y137-F222 AromaticContact CG-CD1 3.9Å; Y137-F222 HydrophobicContact CG-CD1 3.9Å; Y137-H225 HydrophobicContact CD2-CB 4.02Å; Y137-H225 HydrophobicContact CE2-CB 3.56Å; Y137-I226 HydrophobicContact CD2-CG1 4.09Å |
| 138 | R | 85.1 | Confident | 79.9 | Confident | 92 Ų | 92 | 58 Ų | 58 | 35% | 0.347 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.8 | -70.6 | 177.5 | -175.2 | -171.8 | 5.2 | 112 | Q134 D135 R136 H142 | Q134-R138 WeakPolarHBondContact O-CG 3.49Å; Q134-R138 PolarHBondContact O-N 3.29Å; D135-R138 PolarHBondContact O-N 3.09Å; R136-R138 PolarHBondContact O-N 2.87Å; R138-H142 CarbonylContact O-C 3.06Å; R138-H142 WeakPolarHBondContact O-CA 3.5Å; R138-H142 PolarHBondContact O-N 3.42Å; R138-H142 VanDerWaalsContact O-N 3.1Å |
| 139 | V | 80.9 | Confident | 79.6 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | -178.7 | 170.2 | 0 | 0 | 0 | 0 | 112.7 | D135 R136 Y137 | D135-V139 WeakPolarHBondContact O-CG2 3.4Å; D135-V139 PolarHBondContact O-N 3.35Å; R136-V139 PolarHBondContact O-N 3.02Å; Y137-V139 VanDerWaalsContact C-N 3.33Å; Y137-V139 PolarHBondContact O-N 2.84Å |
| 140 | L | 77.3 | Confident | 79.7 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -83 | -45 | -173.2 | -67.4 | 172.8 | 0 | 0 | 0 | 111.6 | R136 Y137 I226 R233 T249 I253 | R136-L140 WeakPolarHBondContact O-CB 3.12Å; R136-L140 WeakPolarHBondContact O-CG 3.38Å; R136-L140 PolarHBondContact O-N 3.03Å; Y137-L140 PolarHBondContact O-N 3.03Å; L140-I226 HydrophobicContact CD1-CG2 3.67Å; L140-R233 PolarHBondContact O-NH1 3.32Å; L140-R233 PolarHBondContact O-NH2 2.97Å; L140-T249 HydrophobicContact CD1-CG2 3.98Å; L140-I253 HydrophobicContact CD1-CD1 4.34Å |
| 141 | V | 78.6 | Confident | 79.6 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 18% | 0.176 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -85 | -39.8 | -175.1 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | Y137 P143 I226 R233 | Y137-V141 HydrophobicContact CD2-CB 3.98Å; Y137-V141 HydrophobicContact CD2-CG2 3.45Å; Y137-V141 VanDerWaalsContact CD2-CG2 3.45Å; Y137-V141 HydrophobicContact CE2-CB 3.75Å; Y137-V141 HydrophobicContact CE2-CG1 3.87Å; Y137-V141 HydrophobicContact CE2-CG2 3.54Å; Y137-V141 HydrophobicContact CG-CG2 4.38Å; Y137-V141 VanDerWaalsContact O-CB 3.3Å; Y137-V141 WeakPolarHBondContact O-CB 3.43Å; Y137-V141 WeakPolarHBondContact O-CG2 3.45Å; Y137-V141 PolarHBondContact O-N 3.2Å; V141-P143 VanDerWaalsContact C-CD 3.44Å; V141-P143 VanDerWaalsContact O-CD 3.24Å; V141-P143 WeakPolarHBondContact O-CD 3.44Å; V141-I226 HydrophobicContact CG2-CG1 4.27Å; V141-R233 PolarHBondContact O-NH2 3.2Å |
| 142 | H | 79.3 | Confident | 79.5 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -121.1 | 68.3 | -177 | -63.2 | 97.8 | 0 | 0 | 0 | 112.1 | Y137 R138 M144 | Y137-H142 AromaticContact CE1-ND1 3.98Å; Y137-H142 AromaticContact CZ-CE1 3.87Å; Y137-H142 AromaticContact CZ-ND1 3.95Å; Y137-H142 PolarHBondContact OH-CE1 2.88Å; R138-H142 CarbonylContact O-C 3.06Å; R138-H142 WeakPolarHBondContact O-CA 3.5Å; R138-H142 PolarHBondContact O-N 3.42Å; R138-H142 VanDerWaalsContact O-N 3.1Å; H142-M144 WeakPolarHBondContact O-CG 3.45Å; H142-M144 PolarHBondContact O-N 2.95Å |
| 143 | P | 70.6 | Confident | 79.8 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | trans | -62.2 | 98.8 | -174 | 23.9 | -32.3 | 0 | 0 | 0 | 111.9 | V141 | V141-P143 VanDerWaalsContact C-CD 3.44Å; V141-P143 VanDerWaalsContact O-CD 3.24Å; V141-P143 WeakPolarHBondContact O-CD 3.44Å | ||
| 144 | M | 64.5 | Low | 80.2 | Confident | 89 Ų | 89 | 79.9 Ų | 79.9 | 44% | 0.438 | 39% | 0.388 | S | S | . | . | trans | -96.3 | 100.3 | 176 | -66.2 | -169.1 | -63.1 | 0 | 0 | 110.6 | H142 S146 | H142-M144 WeakPolarHBondContact O-CG 3.45Å; H142-M144 PolarHBondContact O-N 2.95Å; M144-S146 PolarHBondContact O-N 2.83Å | ||
| 145 | A | 58.1 | Low | 80.4 | Confident | 109 Ų | 109 | 77.2 Ų | 77.2 | 90% | 0.901 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 146 | S | 58.5 | Low | 80.8 | Confident | 113 Ų | 113 | 83 Ų | 83 | 79% | 0.79 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 1.3 | -167.8 | 60.3 | 0 | 0 | 0 | 0 | 116.6 | M144 | M144-S146 PolarHBondContact O-N 2.83Š|
| 147 | R | 79.7 | Confident | 81.5 | Confident | 129 Ų | 129 | 83.3 Ų | 83.3 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | trans | -118.4 | 28.1 | -169.7 | -67.1 | -175.7 | 176.2 | -173.2 | 0.9 | 115.8 | Q149 Q150 R151 | R147-Q149 PolarHBondContact O-N 3.2Å; R147-Q150 HydrophobicContact CB-CB 4.41Å; R147-Q150 PolarHBondContact O-N 3.26Å; R147-R151 WeakPolarHBondContact O-CG 3.32Å; R147-R151 PolarHBondContact O-N 3.27Å | ||
| 148 | R | 80.9 | Confident | 82.1 | Confident | 142 Ų | 142 | 83.1 Ų | 83.1 | 54% | 0.536 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | -174.6 | -169.2 | 174.9 | -179.8 | 177.2 | 0 | 113.7 | N71 R151 R152 | N71-R148 PolarHBondContact OD1-NH2 3.35Å; R148-R151 PolarHBondContact O-N 2.95Å; R148-R152 WeakPolarHBondContact O-CG 3.37Å; R148-R152 PolarHBondContact O-N 2.91Å; R148-R152 VanDerWaalsContact O-N 3.11Å |
| 149 | Q | 84.9 | Confident | 82.7 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 179.8 | -174.4 | 63.1 | 4.5 | 0 | 0 | 112.3 | Q69 R147 R151 R152 R153 | Q69-Q149 VanDerWaalsContact OE1-OE1 3.05Å; R147-Q149 PolarHBondContact O-N 3.2Å; Q149-R151 VanDerWaalsContact C-N 3.3Å; Q149-R151 PolarHBondContact O-N 3.48Å; Q149-R152 WeakPolarHBondContact O-CB 3.29Å; Q149-R152 PolarHBondContact O-N 2.89Å; Q149-R153 PolarHBondContact O-N 3.33Å |
| 150 | Q | 87.8 | Confident | 83.5 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 43% | 0.425 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 174.9 | -175.4 | 178.3 | 8 | 0 | 0 | 111.2 | R147 R152 R153 Q154 | R147-Q150 HydrophobicContact CB-CB 4.41Å; R147-Q150 PolarHBondContact O-N 3.26Å; Q150-R152 PolarHBondContact O-N 3.41Å; Q150-R153 PolarHBondContact O-N 2.89Å; Q150-Q154 WeakPolarHBondContact O-CG 3.49Å; Q150-Q154 PolarHBondContact O-N 2.91Å |
| 151 | R | 87.5 | Confident | 84.5 | Confident | 44 Ų | 44 | 84.9 Ų | 84.9 | 17% | 0.166 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.8 | -73.9 | -179 | 58.2 | -136.5 | -7.8 | 112.9 | V72 D135 R147 R148 Q149 Q154 A155 | V72-R151 HydrophobicContact CG2-CB 4Å; D135-R151 VanDerWaalsContact CG-NH2 3.33Å; D135-R151 IonicContact OD1-CZ 3.61Å; D135-R151 IonicContact OD1-NE 3.76Å; D135-R151 IonicContact OD1-NH2 2.64Å; D135-R151 PolarHBondContact OD1-NH2 3.35Å; D135-R151 IonicContact OD2-NH2 3.28Å; D135-R151 PolarHBondContact OD2-NH2 3.33Å; R147-R151 WeakPolarHBondContact O-CG 3.32Å; R147-R151 PolarHBondContact O-N 3.27Å; R148-R151 PolarHBondContact O-N 2.95Å; Q149-R151 VanDerWaalsContact C-N 3.3Å; Q149-R151 PolarHBondContact O-N 3.48Å; R151-Q154 PolarHBondContact O-N 2.97Å; R151-A155 WeakPolarHBondContact O-CB 3.35Å; R151-A155 PolarHBondContact O-N 3.16Å |
| 152 | R | 89.5 | Confident | 85.4 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 172.6 | -73.1 | 171.8 | 170.1 | 161.9 | 0.4 | 111.5 | L70 N71 V72 I75 R148 Q149 Q150 A155 R156 | L70-R152 WeakPolarHBondContact O-CD 3.45Å; L70-R152 PolarHBondContact O-NE 2.87Å; N71-R152 PolarHBondContact OD1-NH2 2.94Å; V72-R152 HydrophobicContact CG2-CG 4.21Å; I75-R152 HydrophobicContact CD1-CB 4.4Å; I75-R152 HydrophobicContact CD1-CG 4.47Å; R148-R152 WeakPolarHBondContact O-CG 3.37Å; R148-R152 PolarHBondContact O-N 2.91Å; R148-R152 VanDerWaalsContact O-N 3.11Å; Q149-R152 WeakPolarHBondContact O-CB 3.29Å; Q149-R152 PolarHBondContact O-N 2.89Å; Q150-R152 PolarHBondContact O-N 3.41Å; R152-A155 PolarHBondContact O-N 3.39Å; R152-R156 WeakPolarHBondContact O-CG 3.47Å; R152-R156 PolarHBondContact O-N 3.32Å; R152-R156 VanDerWaalsContact O-N 3.09Å |
| 153 | R | 90.8 | Very high | 86.2 | Confident | 188 Ų | 188 | 83.8 Ų | 83.8 | 71% | 0.709 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 175.9 | -173.7 | 179.7 | 177.9 | -165.5 | -0.6 | 111.2 | Q149 Q150 A155 R156 V157 | Q149-R153 PolarHBondContact O-N 3.33Å; Q150-R153 PolarHBondContact O-N 2.89Å; R153-A155 PolarHBondContact O-N 2.89Å; R153-R156 PolarHBondContact O-N 3.44Å; R153-V157 WeakPolarHBondContact O-CG2 3.5Å; R153-V157 PolarHBondContact O-N 3.39Å |
| 154 | Q | 92.2 | Very high | 87.5 | Confident | 76 Ų | 76 | 83.1 Ų | 83.1 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 175.4 | -74.5 | 175.6 | -12.5 | 0 | 0 | 111.3 | Q150 R151 R156 V157 T158 | Q150-Q154 WeakPolarHBondContact O-CG 3.49Å; Q150-Q154 PolarHBondContact O-N 2.91Å; R151-Q154 PolarHBondContact O-N 2.97Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.38Å; Q154-V157 PolarHBondContact O-N 3.05Å; Q154-V157 VanDerWaalsContact O-N 3.16Å; Q154-T158 WeakPolarHBondContact O-CB 3.46Å; Q154-T158 PolarHBondContact O-N 3.25Å; Q154-T158 PolarHBondContact O-OG1 3.3Å |
| 155 | A | 92.5 | Very high | 89 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.008 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V72 I75 Y76 R151 R152 R153 T158 C159 | V72-A155 HydrophobicContact CB-CB 4.41Å; V72-A155 HydrophobicContact CG1-CB 3.7Å; V72-A155 HydrophobicContact CG2-CB 4.33Å; I75-A155 HydrophobicContact CD1-CB 4.38Å; I75-A155 HydrophobicContact CG2-CB 4.44Å; Y76-A155 HydrophobicContact CE1-CB 4.25Å; Y76-A155 HydrophobicContact CE2-CB 4.21Å; R151-A155 WeakPolarHBondContact O-CB 3.35Å; R151-A155 PolarHBondContact O-N 3.16Å; R152-A155 PolarHBondContact O-N 3.39Å; R153-A155 PolarHBondContact O-N 2.89Å; A155-T158 PolarHBondContact O-N 3.42Å; A155-C159 PolarHBondContact O-N 3.2Å; A155-C159 PolarHBondContact O-SG 3.22Å |
| 156 | R | 94.1 | Very high | 90.8 | Very high | 131 Ų | 131 | 76.7 Ų | 76.7 | 49% | 0.494 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.1 | -68.8 | 174.7 | -173.7 | 174.8 | -1.8 | 111.8 | I75 R152 R153 Q154 T158 C159 V160 | I75-R156 HydrophobicContact CD1-CG 4.2Å; I75-R156 HydrophobicContact CG2-CG 4.37Å; R152-R156 WeakPolarHBondContact O-CG 3.47Å; R152-R156 PolarHBondContact O-N 3.32Å; R152-R156 VanDerWaalsContact O-N 3.09Å; R153-R156 PolarHBondContact O-N 3.44Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.38Å; R156-T158 VanDerWaalsContact C-N 3.35Å; R156-C159 PolarHBondContact O-N 3.03Å; R156-V160 WeakPolarHBondContact O-CG2 3.29Å; R156-V160 PolarHBondContact O-N 2.81Å |
| 157 | V | 96.2 | Very high | 92.5 | Very high | 77 Ų | 77 | 72.7 Ų | 72.7 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | R153 Q154 C159 V160 L161 | R153-V157 WeakPolarHBondContact O-CG2 3.5Å; R153-V157 PolarHBondContact O-N 3.39Å; Q154-V157 PolarHBondContact O-N 3.05Å; Q154-V157 VanDerWaalsContact O-N 3.16Å; V157-C159 VanDerWaalsContact C-N 3.34Å; V157-C159 PolarHBondContact O-N 2.89Å; V157-V160 PolarHBondContact O-N 2.85Å; V157-L161 HydrophobicContact CG1-CD1 3.98Å; V157-L161 HydrophobicContact CG1-CG 4.42Å; V157-L161 WeakPolarHBondContact O-CG 2.85Å; V157-L161 PolarHBondContact O-N 3.44Å |
| 158 | T | 96.3 | Very high | 93.3 | Very high | 40 Ų | 40 | 71.5 Ų | 71.5 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | Y76 A131 Q154 A155 R156 V160 L161 I162 | Y76-T158 HydrophobicContact CE1-CG2 4.19Å; A131-T158 HydrophobicContact CB-CG2 4.12Å; Q154-T158 WeakPolarHBondContact O-CB 3.46Å; Q154-T158 PolarHBondContact O-N 3.25Å; Q154-T158 PolarHBondContact O-OG1 3.3Å; A155-T158 PolarHBondContact O-N 3.42Å; R156-T158 VanDerWaalsContact C-N 3.35Å; T158-V160 PolarHBondContact O-N 2.85Å; T158-L161 PolarHBondContact O-N 3.24Å; T158-I162 HydrophobicContact CG2-CD1 3.83Å; T158-I162 HydrophobicContact CG2-CG1 4.41Å; T158-I162 VanDerWaalsContact O-CG1 3.24Å; T158-I162 WeakPolarHBondContact O-CG1 3.34Å; T158-I162 PolarHBondContact O-N 3.39Å |
| 159 | C | 96.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.2 | -66 | 0 | 0 | 0 | 0 | 111.5 | Y76 A155 R156 V157 L161 I162 W163 | Y76-C159 WeakPolarHBondContact CD1-SG 3.34Å; A155-C159 PolarHBondContact O-N 3.2Å; A155-C159 PolarHBondContact O-SG 3.22Å; R156-C159 PolarHBondContact O-N 3.03Å; V157-C159 VanDerWaalsContact C-N 3.34Å; V157-C159 PolarHBondContact O-N 2.89Å; C159-L161 VanDerWaalsContact C-N 3.3Å; C159-L161 PolarHBondContact O-N 3.39Å; C159-I162 WeakPolarHBondContact O-CB 3.11Å; C159-I162 PolarHBondContact O-N 3.48Å; C159-I162 VanDerWaalsContact O-N 3.11Å; C159-W163 PolarHBondContact O-N 3.12Å |
| 160 | V | 97.4 | Very high | 94.4 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.8 | -44.8 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | R156 V157 T158 I162 W163 V164 | R156-V160 WeakPolarHBondContact O-CG2 3.29Å; R156-V160 PolarHBondContact O-N 2.81Å; V157-V160 PolarHBondContact O-N 2.85Å; T158-V160 PolarHBondContact O-N 2.85Å; V160-I162 VanDerWaalsContact C-N 3.33Å; V160-I162 PolarHBondContact O-N 2.97Å; V160-W163 PolarHBondContact O-N 3.47Å; V160-V164 WeakPolarHBondContact O-CG2 3.42Å; V160-V164 PolarHBondContact O-N 3.01Å |
| 161 | L | 97.6 | Very high | 94.6 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 176.6 | -68.5 | 168.7 | 0 | 0 | 0 | 111.9 | V157 T158 C159 V164 V165 | V157-L161 HydrophobicContact CG1-CD1 3.98Å; V157-L161 HydrophobicContact CG1-CG 4.42Å; V157-L161 WeakPolarHBondContact O-CG 2.85Å; V157-L161 PolarHBondContact O-N 3.44Å; T158-L161 PolarHBondContact O-N 3.24Å; C159-L161 VanDerWaalsContact C-N 3.3Å; C159-L161 PolarHBondContact O-N 3.39Å; L161-V164 PolarHBondContact O-N 3.18Å; L161-V165 WeakPolarHBondContact O-CB 3.2Å; L161-V165 VanDerWaalsContact O-CG2 3.26Å; L161-V165 WeakPolarHBondContact O-CG2 3.27Å; L161-V165 PolarHBondContact O-N 2.89Å |
| 162 | I | 97.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.9 | -70.6 | 166.6 | 0 | 0 | 0 | 111.1 | I124 F127 L128 A131 T158 C159 V160 V164 V165 G166 | I124-I162 HydrophobicContact CB-CG2 4.3Å; I124-I162 HydrophobicContact CG1-CG2 4.39Å; I124-I162 HydrophobicContact CG2-CG2 4.1Å; F127-I162 HydrophobicContact CB-CB 4.45Å; F127-I162 HydrophobicContact CB-CD1 4.12Å; F127-I162 HydrophobicContact CB-CG1 3.87Å; F127-I162 HydrophobicContact CB-CG2 3.8Å; F127-I162 HydrophobicContact CD2-CG2 4.42Å; L128-I162 HydrophobicContact CD2-CD1 3.91Å; L128-I162 HydrophobicContact CG-CD1 4.28Å; L128-I162 HydrophobicContact CG-CG2 4.22Å; A131-I162 HydrophobicContact CB-CD1 4.1Å; T158-I162 HydrophobicContact CG2-CD1 3.83Å; T158-I162 HydrophobicContact CG2-CG1 4.41Å; T158-I162 VanDerWaalsContact O-CG1 3.24Å; T158-I162 WeakPolarHBondContact O-CG1 3.34Å; T158-I162 PolarHBondContact O-N 3.39Å; C159-I162 WeakPolarHBondContact O-CB 3.11Å; C159-I162 PolarHBondContact O-N 3.48Å; C159-I162 VanDerWaalsContact O-N 3.11Å; V160-I162 VanDerWaalsContact C-N 3.33Å; V160-I162 PolarHBondContact O-N 2.97Å; I162-V164 PolarHBondContact O-N 3.3Å; I162-V165 PolarHBondContact O-N 3.29Å; I162-G166 PolarHBondContact O-N 3.05Å |
| 163 | W | 97.4 | Very high | 94.9 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 36% | 0.36 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.5 | -82.2 | 99 | 0 | 0 | 0 | 112 | N79 A82 I124 C159 V160 G167 | N79-W163 PolarHBondContact OD1-NE1 3.26Å; A82-W163 HydrophobicContact CB-CZ2 4.41Å; I124-W163 HydrophobicContact CD1-CD2 3.97Å; I124-W163 HydrophobicContact CD1-CE3 3.44Å; I124-W163 VanDerWaalsContact CD1-CE3 3.44Å; I124-W163 HydrophobicContact CD1-CH2 4.35Å; I124-W163 HydrophobicContact CD1-CZ3 3.67Å; I124-W163 HydrophobicContact CG1-CE3 4.49Å; I124-W163 HydrophobicContact CG2-CZ2 4.48Å; C159-W163 PolarHBondContact O-N 3.12Å; V160-W163 PolarHBondContact O-N 3.47Å; W163-G167 PolarHBondContact O-N 3.17Å |
| 164 | V | 97.4 | Very high | 95 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 47% | 0.473 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | V160 L161 I162 G167 L168 | V160-V164 WeakPolarHBondContact O-CG2 3.42Å; V160-V164 PolarHBondContact O-N 3.01Å; L161-V164 PolarHBondContact O-N 3.18Å; I162-V164 PolarHBondContact O-N 3.3Å; V164-G167 PolarHBondContact O-N 3.11Å; V164-L168 HydrophobicContact CG1-CD1 3.93Å; V164-L168 HydrophobicContact CG1-CG 4.33Å; V164-L168 WeakPolarHBondContact O-CB 3.46Å; V164-L168 VanDerWaalsContact O-CG 3.27Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.15Å |
| 165 | V | 96.2 | Very high | 94.9 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 38% | 0.376 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | -178.3 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | F127 L161 I162 G167 L168 L169 | F127-V165 HydrophobicContact CE2-CG1 3.84Å; L161-V165 WeakPolarHBondContact O-CB 3.2Å; L161-V165 VanDerWaalsContact O-CG2 3.26Å; L161-V165 WeakPolarHBondContact O-CG2 3.27Å; L161-V165 PolarHBondContact O-N 2.89Å; I162-V165 PolarHBondContact O-N 3.29Å; V165-G167 VanDerWaalsContact C-N 3.34Å; V165-G167 PolarHBondContact O-N 3.46Å; V165-L168 PolarHBondContact O-N 3.36Å; V165-L169 HydrophobicContact CG1-CD1 3.93Å; V165-L169 HydrophobicContact CG1-CG 4.3Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 3.13Å |
| 166 | G | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I162 S170 | I162-G166 PolarHBondContact O-N 3.05Å; G166-S170 WeakPolarHBondContact O-CB 2.92Å; G166-S170 PolarHBondContact O-N 3.13Å; G166-S170 VanDerWaalsContact O-N 3.13Å; G166-S170 PolarHBondContact O-OG 3.44Å |
| 167 | G | 95.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W163 V164 V165 S170 I171 | W163-G167 PolarHBondContact O-N 3.17Å; V164-G167 PolarHBondContact O-N 3.11Å; V165-G167 VanDerWaalsContact C-N 3.34Å; V165-G167 PolarHBondContact O-N 3.46Å; G167-S170 WeakPolarHBondContact CA-OG 3.37Å; G167-S170 PolarHBondContact O-N 2.98Å; G167-S170 PolarHBondContact O-OG 3.08Å; G167-I171 WeakPolarHBondContact O-CG1 3.38Å; G167-I171 PolarHBondContact O-N 3.43Å |
| 168 | L | 95.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 51.1 Ų | 51.1 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.6 | -71.9 | 174.4 | 0 | 0 | 0 | 112.3 | V164 V165 S170 I171 | V164-L168 HydrophobicContact CG1-CD1 3.93Å; V164-L168 HydrophobicContact CG1-CG 4.33Å; V164-L168 WeakPolarHBondContact O-CB 3.46Å; V164-L168 VanDerWaalsContact O-CG 3.27Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.15Å; V165-L168 PolarHBondContact O-N 3.36Å; L168-S170 PolarHBondContact O-N 3.05Å; L168-I171 HydrophobicContact CD2-CD1 3.7Å; L168-I171 WeakPolarHBondContact O-CB 3.28Å; L168-I171 WeakPolarHBondContact O-CG1 3.13Å; L168-I171 PolarHBondContact O-N 2.88Å |
| 169 | L | 93.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -28.1 | 178.4 | -68.9 | 173.5 | 0 | 0 | 0 | 112.2 | F123 F127 V165 P172 E206 L210 | F123-L169 HydrophobicContact CB-CD1 4.4Å; F123-L169 HydrophobicContact CD1-CD1 3.76Å; F123-L169 HydrophobicContact CD2-CB 3.6Å; F123-L169 HydrophobicContact CD2-CD1 4.13Å; F123-L169 HydrophobicContact CE1-CD1 4.01Å; F123-L169 HydrophobicContact CE2-CB 3.57Å; F123-L169 HydrophobicContact CE2-CD1 4.33Å; F123-L169 HydrophobicContact CG-CB 4.18Å; F123-L169 HydrophobicContact CG-CD1 3.84Å; F123-L169 HydrophobicContact CZ-CB 4.16Å; F123-L169 HydrophobicContact CZ-CD1 4.3Å; F127-L169 HydrophobicContact CE2-CD1 3.95Å; F127-L169 HydrophobicContact CZ-CD1 4.07Å; V165-L169 HydrophobicContact CG1-CD1 3.93Å; V165-L169 HydrophobicContact CG1-CG 4.3Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 3.13Å; L169-P172 WeakPolarHBondContact O-CD 3.4Å; L169-E206 HydrophobicContact CD2-CG 4.36Å; L169-L210 HydrophobicContact CD2-CD1 3.85Å |
| 170 | S | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -83.3 | -10.2 | 177.7 | 53 | 0 | 0 | 0 | 0 | 114.5 | A120 G166 G167 L168 P172 T173 F174 | A120-S170 WeakPolarHBondContact CB-OG 3.46Å; G166-S170 WeakPolarHBondContact O-CB 2.92Å; G166-S170 PolarHBondContact O-N 3.13Å; G166-S170 VanDerWaalsContact O-N 3.13Å; G166-S170 PolarHBondContact O-OG 3.44Å; G167-S170 WeakPolarHBondContact CA-OG 3.37Å; G167-S170 PolarHBondContact O-N 2.98Å; G167-S170 PolarHBondContact O-OG 3.08Å; L168-S170 PolarHBondContact O-N 3.05Å; S170-P172 VanDerWaalsContact C-CD 3.49Å; S170-T173 WeakPolarHBondContact O-CA 3.36Å; S170-T173 WeakPolarHBondContact O-CB 3.29Å; S170-T173 PolarHBondContact O-N 3.48Å; S170-F174 VanDerWaalsContact O-CD2 3.29Å; S170-F174 WeakPolarHBondContact O-CD2 3.39Å; S170-F174 PolarHBondContact O-N 3.39Å |
| 171 | I | 93.2 | Very high | 93.7 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -50.6 | -47.6 | 180 | -70.8 | 174.5 | 0 | 0 | 0 | 113 | G167 L168 T173 F174 L175 | G167-I171 WeakPolarHBondContact O-CG1 3.38Å; G167-I171 PolarHBondContact O-N 3.43Å; L168-I171 HydrophobicContact CD2-CD1 3.7Å; L168-I171 WeakPolarHBondContact O-CB 3.28Å; L168-I171 WeakPolarHBondContact O-CG1 3.13Å; L168-I171 PolarHBondContact O-N 2.88Å; I171-T173 PolarHBondContact O-N 3.28Å; I171-F174 WeakPolarHBondContact O-CB 3.17Å; I171-F174 PolarHBondContact O-N 2.92Å; I171-L175 HydrophobicContact CG2-CD1 3.58Å; I171-L175 HydrophobicContact CG2-CG 4.06Å; I171-L175 WeakPolarHBondContact O-CG 3.42Å; I171-L175 PolarHBondContact O-N 3.38Å |
| 172 | P | 91.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.4 | -37.4 | 178.2 | -25.7 | 35.9 | 0 | 0 | 0 | 112.3 | L169 S170 L175 L176 W199 | L169-P172 WeakPolarHBondContact O-CD 3.4Å; S170-P172 VanDerWaalsContact C-CD 3.49Å; P172-L175 PolarHBondContact O-N 3.46Å; P172-L176 HydrophobicContact CB-CD1 4.17Å; P172-L176 WeakPolarHBondContact O-CB 3.41Å; P172-L176 VanDerWaalsContact O-CG 3.26Å; P172-L176 WeakPolarHBondContact O-CG 3.5Å; P172-L176 PolarHBondContact O-N 2.92Å; P172-W199 HydrophobicContact CB-CZ3 3.97Å; P172-W199 HydrophobicContact CG-CZ3 4.17Å |
| 173 | T | 91.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 8% | 0.08 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | N115 K119 S170 I171 L175 R177 | N115-T173 HydrophobicContact CB-CG2 4.05Å; K119-T173 HydrophobicContact CB-CG2 4.19Å; S170-T173 WeakPolarHBondContact O-CA 3.36Å; S170-T173 WeakPolarHBondContact O-CB 3.29Å; S170-T173 PolarHBondContact O-N 3.48Å; I171-T173 PolarHBondContact O-N 3.28Å; T173-L175 VanDerWaalsContact C-N 3.34Å; T173-R177 HydrophobicContact CG2-CG 3.95Å; T173-R177 WeakPolarHBondContact O-CB 3.47Å; T173-R177 WeakPolarHBondContact O-CG 3.38Å; T173-R177 PolarHBondContact O-N 2.99Å |
| 174 | F | 92.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 175.4 | -76.1 | -78 | 0 | 0 | 0 | 113 | R112 G116 V117 S170 I171 | R112-F174 WeakPolarHBondContact CD-O 3.27Å; R112-F174 WeakPolarHBondContact CG-O 3.37Å; G116-F174 VanDerWaalsContact C-CE2 3.49Å; G116-F174 VanDerWaalsContact CA-CZ 3.49Å; V117-F174 HydrophobicContact CG2-CE1 4.45Å; V117-F174 HydrophobicContact CG2-CZ 4.19Å; S170-F174 VanDerWaalsContact O-CD2 3.29Å; S170-F174 WeakPolarHBondContact O-CD2 3.39Å; S170-F174 PolarHBondContact O-N 3.39Å; I171-F174 WeakPolarHBondContact O-CB 3.17Å; I171-F174 PolarHBondContact O-N 2.92Å |
| 175 | L | 91.8 | Very high | 90.8 | Very high | 121 Ų | 121 | 60.1 Ų | 60.1 | 63% | 0.634 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -87.7 | -39.1 | -174.6 | -62.9 | -179.6 | 0 | 0 | 0 | 113 | I171 P172 T173 | I171-L175 HydrophobicContact CG2-CD1 3.58Å; I171-L175 HydrophobicContact CG2-CG 4.06Å; I171-L175 WeakPolarHBondContact O-CG 3.42Å; I171-L175 PolarHBondContact O-N 3.38Å; P172-L175 PolarHBondContact O-N 3.46Å; T173-L175 VanDerWaalsContact C-N 3.34Å |
| 176 | L | 91.5 | Very high | 90.4 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -94.1 | -11.5 | -170.8 | -59.1 | 177 | 0 | 0 | 0 | 113.5 | P172 L192 L193 W199 | P172-L176 HydrophobicContact CB-CD1 4.17Å; P172-L176 WeakPolarHBondContact O-CB 3.41Å; P172-L176 VanDerWaalsContact O-CG 3.26Å; P172-L176 WeakPolarHBondContact O-CG 3.5Å; P172-L176 PolarHBondContact O-N 2.92Å; L176-L192 HydrophobicContact CB-CD1 3.87Å; L176-L193 WeakPolarHBondContact CB-O 3.44Å; L176-L193 PolarHBondContact O-N 2.94Å; L176-W199 HydrophobicContact CD1-CD2 4.07Å; L176-W199 HydrophobicContact CD1-CE3 3.76Å; L176-W199 HydrophobicContact CD1-CH2 4.27Å; L176-W199 HydrophobicContact CD1-CZ3 3.88Å |
| 177 | R | 92 | Very high | 90.1 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.3 | 170 | -83.3 | -91 | -174.1 | -167.7 | 2.6 | 110.2 | R112 N115 T173 C190 I191 L192 | R112-R177 HydrophobicContact CG-CB 4.12Å; R112-R177 WeakPolarHBondContact CG-O 3.38Å; R112-R177 PolarHBondContact NE-O 2.86Å; N115-R177 HydrophobicContact CB-CG 4.05Å; N115-R177 PolarHBondContact OD1-NE 3.27Å; N115-R177 PolarHBondContact OD1-NH2 3.15Å; N115-R177 VanDerWaalsContact OD1-NH2 3.16Å; T173-R177 HydrophobicContact CG2-CG 3.95Å; T173-R177 WeakPolarHBondContact O-CB 3.47Å; T173-R177 WeakPolarHBondContact O-CG 3.38Å; T173-R177 PolarHBondContact O-N 2.99Å; R177-C190 PolarHBondContact NH1-O 3.37Å; R177-I191 WeakPolarHBondContact CA-O 3.26Å; R177-L192 HydrophobicContact CG-CD1 4.01Å |
| 178 | S | 92.8 | Very high | 89.9 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161.4 | 173.3 | -164.8 | 0 | 0 | 0 | 0 | 110.9 | I191 | S178-I191 PolarHBondContact N-O 2.79Å; S178-I191 PolarHBondContact O-N 3.11Å; S178-I191 VanDerWaalsContact O-O 3.09Å |
| 179 | I | 92 | Very high | 89.6 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134.2 | 166.7 | -61.7 | 176.7 | 0 | 0 | 0 | 107.9 | A108 C111 T188 A189 | A108-I179 HydrophobicContact CB-CD1 4.2Å; A108-I179 HydrophobicContact CB-CG1 4.44Å; A108-I179 VanDerWaalsContact N-CD1 3.32Å; C111-I179 HydrophobicContact CB-CG1 4.18Å; I179-T188 HydrophobicContact CG2-CG2 4.42Å; I179-A189 CarbonylContact C-O 3.55Å; I179-A189 WeakPolarHBondContact CA-O 3.26Å |
| 180 | Q | 91.3 | Very high | 89.5 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 38% | 0.379 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.1 | 171.4 | -70.7 | -66.6 | -3.3 | 0 | 0 | 109.8 | T188 A189 I191 L193 | Q180-T188 CarbonylContact O-C 3.52Å; Q180-T188 WeakPolarHBondContact O-CA 3.37Å; Q180-A189 PolarHBondContact N-O 3.48Å; Q180-A189 PolarHBondContact O-N 3.04Å; Q180-I191 HydrophobicContact CB-CD1 3.71Å; Q180-I191 HydrophobicContact CB-CG1 3.93Å; Q180-I191 HydrophobicContact CG-CD1 3.6Å; Q180-I191 HydrophobicContact CG-CG1 3.72Å; Q180-L193 HydrophobicContact CG-CD1 4.32Å; Q180-L193 HydrophobicContact CG-CD2 4.09Å |
| 181 | A | 88.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 64.7 Ų | 64.7 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.9 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | P183 | A181-P183 WeakPolarHBondContact O-CD 3.44Å |
| 182 | V | 86.1 | Confident | 89 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 24% | 0.242 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 96.6 | 174 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | D184 L185 N186 I187 A189 | V182-D184 VanDerWaalsContact C-N 3.28Å; V182-D184 PolarHBondContact O-N 2.93Å; V182-L185 HydrophobicContact CG1-CB 4.23Å; V182-L185 HydrophobicContact CG1-CD1 4.11Å; V182-L185 HydrophobicContact CG1-CG 4.32Å; V182-L185 PolarHBondContact O-N 3.44Å; V182-N186 PolarHBondContact O-N 2.91Å; V182-I187 HydrophobicContact CB-CG1 4.06Å; V182-I187 HydrophobicContact CG2-CG1 4.47Å; V182-I187 PolarHBondContact N-O 3.39Å; V182-I187 PolarHBondContact O-N 3.02Å; V182-A189 HydrophobicContact CG2-CB 4.12Å |
| 183 | P | 82.8 | Confident | 88.7 | Confident | 108 Ų | 108 | 65 Ų | 65 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -60.5 | -37.1 | -171.2 | -24 | 34.7 | 0 | 0 | 0 | 113 | A181 L185 N186 | A181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-L185 PolarHBondContact O-N 3.46Å; P183-N186 PolarHBondContact O-N 2.88Å; P183-N186 VanDerWaalsContact O-N 3.17Å |
| 184 | D | 81.9 | Confident | 88.4 | Confident | 155 Ų | 155 | 66.2 Ų | 66.2 | 83% | 0.829 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -63 | -27.9 | -176.7 | -56 | -41.4 | 0 | 0 | 0 | 113 | V182 | V182-D184 VanDerWaalsContact C-N 3.28Å; V182-D184 PolarHBondContact O-N 2.93Å |
| 185 | L | 78.3 | Confident | 87.8 | Confident | 121 Ų | 121 | 68 Ų | 68 | 63% | 0.634 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -109 | -4.5 | -179.6 | -66.6 | 170.3 | 0 | 0 | 0 | 112.4 | V182 P183 I187 | V182-L185 HydrophobicContact CG1-CB 4.23Å; V182-L185 HydrophobicContact CG1-CD1 4.11Å; V182-L185 HydrophobicContact CG1-CG 4.32Å; V182-L185 PolarHBondContact O-N 3.44Å; P183-L185 PolarHBondContact O-N 3.46Å; L185-I187 HydrophobicContact CB-CD1 4.13Å; L185-I187 HydrophobicContact CB-CG1 3.87Å; L185-I187 HydrophobicContact CD1-CD1 4.18Å; L185-I187 WeakPolarHBondContact O-CG2 3.2Å; L185-I187 PolarHBondContact O-N 2.9Å |
| 186 | N | 86.4 | Confident | 87.3 | Confident | 153 Ų | 153 | 68.3 Ų | 68.3 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.2 | -174.5 | -165.4 | 34.7 | 0 | 0 | 0 | 113.9 | V182 P183 | V182-N186 PolarHBondContact O-N 2.91Å; P183-N186 PolarHBondContact O-N 2.88Å; P183-N186 VanDerWaalsContact O-N 3.17Å |
| 187 | I | 89.8 | Confident | 86.7 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 14% | 0.138 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 160.9 | 179.9 | 64 | 174.7 | 0 | 0 | 0 | 112.4 | F102 N103 V182 L185 A189 | F102-I187 HydrophobicContact CB-CD1 4.49Å; N103-I187 HydrophobicContact CB-CB 3.99Å; N103-I187 HydrophobicContact CB-CG2 3.93Å; V182-I187 HydrophobicContact CB-CG1 4.06Å; V182-I187 HydrophobicContact CG2-CG1 4.47Å; V182-I187 PolarHBondContact N-O 3.39Å; V182-I187 PolarHBondContact O-N 3.02Å; L185-I187 HydrophobicContact CB-CD1 4.13Å; L185-I187 HydrophobicContact CB-CG1 3.87Å; L185-I187 HydrophobicContact CD1-CD1 4.18Å; L185-I187 WeakPolarHBondContact O-CG2 3.2Å; L185-I187 PolarHBondContact O-N 2.9Å; I187-A189 HydrophobicContact CD1-CB 4.44Å |
| 188 | T | 90.8 | Very high | 86.4 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 36% | 0.362 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 102.6 | 168.1 | 48.6 | 0 | 0 | 0 | 0 | 110 | N103 W104 I179 Q180 | N103-T188 PolarHBondContact OD1-N 2.91Å; N103-T188 PolarHBondContact OD1-O 2.86Å; N103-T188 PolarHBondContact OD1-OG1 3.28Å; W104-T188 WeakPolarHBondContact CB-O 3.33Å; W104-T188 PolarHBondContact N-O 3.4Å; I179-T188 HydrophobicContact CG2-CG2 4.42Å; Q180-T188 CarbonylContact O-C 3.52Å; Q180-T188 WeakPolarHBondContact O-CA 3.37Å |
| 189 | A | 90 | Very high | 86.1 | Confident | 11 Ų | 11 | 77.1 Ų | 77.1 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 141.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I179 Q180 V182 I187 I191 | I179-A189 CarbonylContact C-O 3.55Å; I179-A189 WeakPolarHBondContact CA-O 3.26Å; Q180-A189 PolarHBondContact N-O 3.48Å; Q180-A189 PolarHBondContact O-N 3.04Å; V182-A189 HydrophobicContact CG2-CB 4.12Å; I187-A189 HydrophobicContact CD1-CB 4.44Å; A189-I191 HydrophobicContact CB-CG2 3.85Å; A189-I191 PolarHBondContact O-N 3.36Å |
| 190 | C | 91.7 | Very high | 85.6 | Confident | 14 Ų | 14 | 76.8 Ų | 76.8 | 10% | 0.095 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 104.5 | 168.4 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | W104 C111 N115 R177 | W104-C190 HydrophobicContact CB-CB 4.03Å; W104-C190 HydrophobicContact CD2-CB 3.85Å; W104-C190 HydrophobicContact CE3-CB 4.07Å; W104-C190 HydrophobicContact CG-CB 3.81Å; C111-C190 VanDerWaalsContact CA-SG 3.56Å; C111-C190 HydrophobicContact CB-CB 3.86Å; C111-C190 WeakPolarHBondContact CB-SG 3.33Å; C111-C190 WeakPolarHBondContact SG-CB 3.24Å; C111-C190 CovalentContact SG-SG 2.03Å; C111-C190 PolarHBondContact SG-SG 3.49Å; N115-C190 PolarHBondContact ND2-SG 2.81Å; N115-C190 VanDerWaalsContact ND2-SG 3.38Å; R177-C190 PolarHBondContact NH1-O 3.37Å |
| 191 | I | 88.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 32% | 0.323 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 157.9 | -175.9 | 69.7 | 171 | 0 | 0 | 0 | 112.2 | R177 S178 Q180 A189 L193 | R177-I191 WeakPolarHBondContact CA-O 3.26Å; S178-I191 PolarHBondContact N-O 2.79Å; S178-I191 PolarHBondContact O-N 3.11Å; S178-I191 VanDerWaalsContact O-O 3.09Å; Q180-I191 HydrophobicContact CB-CD1 3.71Å; Q180-I191 HydrophobicContact CB-CG1 3.93Å; Q180-I191 HydrophobicContact CG-CD1 3.6Å; Q180-I191 HydrophobicContact CG-CG1 3.72Å; A189-I191 HydrophobicContact CB-CG2 3.85Å; A189-I191 PolarHBondContact O-N 3.36Å; I191-L193 HydrophobicContact CD1-CD2 3.97Å; I191-L193 HydrophobicContact CG1-CD2 4.24Å; I191-L193 HydrophobicContact CG1-CG 4.37Å |
| 192 | L | 87.6 | Confident | 85.2 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.3 | 174.8 | -175.5 | 70.9 | 0 | 0 | 0 | 108.6 | L176 R177 L194 | L176-L192 HydrophobicContact CB-CD1 3.87Å; R177-L192 HydrophobicContact CG-CD1 4.01Å; L192-L194 HydrophobicContact CB-CD1 4.39Å; L192-L194 HydrophobicContact CD1-CD1 4.48Å; L192-L194 HydrophobicContact CD2-CD1 3.54Å; L192-L194 HydrophobicContact CG-CD1 3.47Å; L192-L194 VanDerWaalsContact CG-CD1 3.47Å |
| 193 | L | 86.4 | Confident | 85.2 | Confident | 64 Ų | 64 | 78.6 Ų | 78.6 | 34% | 0.335 | 42% | 0.421 | S | S | . | . | trans | -91.8 | 112.7 | -178.1 | -67.7 | 164.1 | 0 | 0 | 0 | 110.1 | L176 Q180 I191 P195 | L176-L193 WeakPolarHBondContact CB-O 3.44Å; L176-L193 PolarHBondContact O-N 2.94Å; Q180-L193 HydrophobicContact CG-CD1 4.32Å; Q180-L193 HydrophobicContact CG-CD2 4.09Å; I191-L193 HydrophobicContact CD1-CD2 3.97Å; I191-L193 HydrophobicContact CG1-CD2 4.24Å; I191-L193 HydrophobicContact CG1-CG 4.37Å; L193-P195 WeakPolarHBondContact O-CD 3.45Å | ||
| 194 | L | 83.8 | Confident | 85.3 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 19% | 0.194 | 39% | 0.394 | C | S | . | . | trans | -102.2 | 106.7 | 174.3 | -87.9 | 66.9 | 0 | 0 | 0 | 108.7 | L192 H196 W199 H200 | L192-L194 HydrophobicContact CB-CD1 4.39Å; L192-L194 HydrophobicContact CD1-CD1 4.48Å; L192-L194 HydrophobicContact CD2-CD1 3.54Å; L192-L194 HydrophobicContact CG-CD1 3.47Å; L192-L194 VanDerWaalsContact CG-CD1 3.47Å; L194-H196 VanDerWaalsContact C-N 3.3Å; L194-H196 PolarHBondContact O-N 3.28Å; L194-W199 HydrophobicContact CB-CB 4.09Å; L194-W199 VanDerWaalsContact CD2-C 3.46Å; L194-W199 HydrophobicContact CD2-CB 3.84Å; L194-W199 HydrophobicContact CG-CB 3.68Å; L194-H200 WeakPolarHBondContact CB-NE2 3.43Å; L194-H200 HydrophobicContact CD2-CB 4.2Å | ||
| 195 | P | 79.8 | Confident | 85.5 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | trans | -76.1 | -15.2 | -172.9 | 28.5 | -34.8 | 0 | 0 | 0 | 113.9 | L193 | L193-P195 WeakPolarHBondContact O-CD 3.45Š| ||
| 196 | H | 81.5 | Confident | 86.1 | Confident | 128 Ų | 128 | 65 Ų | 65 | 59% | 0.593 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -148.2 | 146.6 | -175.7 | -160 | -51.2 | 0 | 0 | 0 | 110.7 | L194 A198 W199 | L194-H196 VanDerWaalsContact C-N 3.3Å; L194-H196 PolarHBondContact O-N 3.28Å; H196-A198 PolarHBondContact O-N 3.46Å; H196-W199 WeakPolarHBondContact O-CB 3.31Å; H196-W199 PolarHBondContact O-N 2.98Å |
| 197 | E | 79.6 | Confident | 86.1 | Confident | 128 Ų | 128 | 58 Ų | 58 | 60% | 0.598 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -46 | -36 | 174.6 | -65.1 | -55.9 | 139.5 | 0 | 0 | 114.6 | W199 H200 F201 | E197-W199 PolarHBondContact O-N 3.07Å; E197-H200 WeakPolarHBondContact O-CB 3.26Å; E197-H200 PolarHBondContact O-N 3.29Å; E197-F201 PolarHBondContact O-N 2.97Å |
| 198 | A | 85 | Confident | 85.9 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 52% | 0.521 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -30.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H196 F201 A202 | H196-A198 PolarHBondContact O-N 3.46Å; A198-F201 PolarHBondContact O-N 2.84Å; A198-A202 WeakPolarHBondContact O-CB 3.37Å; A198-A202 PolarHBondContact O-N 3.44Å |
| 199 | W | 85.9 | Confident | 85.8 | Confident | 105 Ų | 105 | 58 Ų | 58 | 40% | 0.398 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.6 | -30.6 | 176 | -72.2 | 100.6 | 0 | 0 | 0 | 112.7 | P172 L176 L194 H196 E197 A202 R203 | P172-W199 HydrophobicContact CB-CZ3 3.97Å; P172-W199 HydrophobicContact CG-CZ3 4.17Å; L176-W199 HydrophobicContact CD1-CD2 4.07Å; L176-W199 HydrophobicContact CD1-CE3 3.76Å; L176-W199 HydrophobicContact CD1-CH2 4.27Å; L176-W199 HydrophobicContact CD1-CZ3 3.88Å; L194-W199 HydrophobicContact CB-CB 4.09Å; L194-W199 VanDerWaalsContact CD2-C 3.46Å; L194-W199 HydrophobicContact CD2-CB 3.84Å; L194-W199 HydrophobicContact CG-CB 3.68Å; H196-W199 WeakPolarHBondContact O-CB 3.31Å; H196-W199 PolarHBondContact O-N 2.98Å; E197-W199 PolarHBondContact O-N 3.07Å; W199-A202 PolarHBondContact O-N 3.45Å; W199-R203 VanDerWaalsContact O-CB 3.29Å; W199-R203 WeakPolarHBondContact O-CB 3.33Å; W199-R203 PolarHBondContact O-N 2.94Å |
| 200 | H | 82.8 | Confident | 85.8 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 174.3 | -69.9 | -89.5 | 0 | 0 | 0 | 109.2 | L194 E197 A202 R203 I204 Q278 | L194-H200 WeakPolarHBondContact CB-NE2 3.43Å; L194-H200 HydrophobicContact CD2-CB 4.2Å; E197-H200 WeakPolarHBondContact O-CB 3.26Å; E197-H200 PolarHBondContact O-N 3.29Å; H200-A202 PolarHBondContact O-N 3.38Å; H200-R203 PolarHBondContact O-N 3Å; H200-I204 WeakPolarHBondContact O-CD1 3.37Å; H200-I204 VanDerWaalsContact O-CG1 3.29Å; H200-I204 WeakPolarHBondContact O-CG1 3.17Å; H200-I204 PolarHBondContact O-N 3.3Å; H200-Q278 PolarHBondContact ND1-OE1 3.31Å |
| 201 | F | 83.6 | Confident | 85.5 | Confident | 138 Ų | 138 | 59.5 Ų | 59.5 | 61% | 0.605 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.9 | -47.8 | 174.2 | -174.5 | -98.5 | 0 | 0 | 0 | 112.4 | E197 A198 R203 I204 V205 | E197-F201 PolarHBondContact O-N 2.97Å; A198-F201 PolarHBondContact O-N 2.84Å; F201-R203 VanDerWaalsContact C-N 3.33Å; F201-R203 PolarHBondContact O-N 3.45Å; F201-I204 PolarHBondContact O-N 3.49Å; F201-V205 HydrophobicContact CD1-CG2 4.13Å; F201-V205 HydrophobicContact CE1-CG2 3.65Å; F201-V205 HydrophobicContact CE2-CG2 4.43Å; F201-V205 HydrophobicContact CZ-CG2 3.83Å; F201-V205 PolarHBondContact O-N 2.92Å; F201-V205 VanDerWaalsContact O-N 3.09Å |
| 202 | A | 88 | Confident | 85.4 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A198 W199 H200 I204 V205 E206 | A198-A202 WeakPolarHBondContact O-CB 3.37Å; A198-A202 PolarHBondContact O-N 3.44Å; W199-A202 PolarHBondContact O-N 3.45Å; H200-A202 PolarHBondContact O-N 3.38Å; A202-I204 VanDerWaalsContact C-N 3.3Å; A202-I204 PolarHBondContact O-N 3.49Å; A202-V205 PolarHBondContact O-N 3.37Å; A202-E206 WeakPolarHBondContact O-CB 3.47Å; A202-E206 PolarHBondContact O-N 2.87Å |
| 203 | R | 85.4 | Confident | 85.5 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 177.9 | 178.3 | 177.9 | 176.8 | -114.1 | -0.4 | 112.1 | W199 H200 F201 L207 E274 | W199-R203 VanDerWaalsContact O-CB 3.29Å; W199-R203 WeakPolarHBondContact O-CB 3.33Å; W199-R203 PolarHBondContact O-N 2.94Å; H200-R203 PolarHBondContact O-N 3Å; F201-R203 VanDerWaalsContact C-N 3.33Å; F201-R203 PolarHBondContact O-N 3.45Å; R203-L207 HydrophobicContact CG-CD1 3.9Å; R203-L207 VanDerWaalsContact O-CB 3.28Å; R203-L207 WeakPolarHBondContact O-CB 3.37Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 2.95Å; R203-E274 IonicContact CZ-OE2 2.78Å; R203-E274 VanDerWaalsContact CZ-OE2 3.24Å; R203-E274 IonicContact NH1-OE1 3.51Å; R203-E274 IonicContact NH1-OE2 3.89Å; R203-E274 PolarHBondContact NH1-OE2 3.25Å; R203-E274 IonicContact NH2-OE1 3.25Å; R203-E274 IonicContact NH2-OE2 3.77Å; R203-E274 PolarHBondContact NH2-OE2 3.02Å |
| 204 | I | 84.2 | Confident | 85.7 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.4 | -48.3 | 177.1 | -58 | 150 | 0 | 0 | 0 | 110.7 | H200 F201 A202 E206 L207 N208 F275 | H200-I204 WeakPolarHBondContact O-CD1 3.37Å; H200-I204 VanDerWaalsContact O-CG1 3.29Å; H200-I204 WeakPolarHBondContact O-CG1 3.17Å; H200-I204 PolarHBondContact O-N 3.3Å; F201-I204 PolarHBondContact O-N 3.49Å; A202-I204 VanDerWaalsContact C-N 3.3Å; A202-I204 PolarHBondContact O-N 3.49Å; I204-E206 PolarHBondContact O-N 2.88Å; I204-L207 PolarHBondContact O-N 3.27Å; I204-N208 HydrophobicContact CG2-CB 4.36Å; I204-N208 WeakPolarHBondContact O-CB 3.46Å; I204-N208 PolarHBondContact O-N 3.08Å; I204-F275 HydrophobicContact CD1-CB 4.11Å; I204-F275 HydrophobicContact CD1-CD1 3.6Å; I204-F275 HydrophobicContact CD1-CD2 2.99Å; I204-F275 HydrophobicContact CD1-CE1 3.64Å; I204-F275 HydrophobicContact CD1-CE2 3.01Å; I204-F275 HydrophobicContact CD1-CG 3.25Å; I204-F275 HydrophobicContact CD1-CZ 3.34Å; I204-F275 HydrophobicContact CG1-CB 3.92Å; I204-F275 HydrophobicContact CG1-CD1 4.19Å; I204-F275 HydrophobicContact CG1-CD2 3.67Å; I204-F275 HydrophobicContact CG1-CE2 4.17Å; I204-F275 HydrophobicContact CG1-CG 3.62Å |
| 205 | V | 87.4 | Confident | 86 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -59.8 | -44.9 | -179.1 | 173.9 | 0 | 0 | 0 | 0 | 109 | F201 A202 I209 L210 | F201-V205 HydrophobicContact CD1-CG2 4.13Å; F201-V205 HydrophobicContact CE1-CG2 3.65Å; F201-V205 HydrophobicContact CE2-CG2 4.43Å; F201-V205 HydrophobicContact CZ-CG2 3.83Å; F201-V205 PolarHBondContact O-N 2.92Å; F201-V205 VanDerWaalsContact O-N 3.09Å; A202-V205 PolarHBondContact O-N 3.37Å; V205-I209 HydrophobicContact CG1-CB 4.37Å; V205-I209 HydrophobicContact CG1-CG1 4.29Å; V205-I209 WeakPolarHBondContact O-CA 3.21Å; V205-I209 WeakPolarHBondContact O-CB 3.27Å; V205-I209 PolarHBondContact O-N 3.41Å; V205-L210 PolarHBondContact O-N 2.91Å |
| 206 | E | 89.7 | Confident | 86.3 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -59.9 | -50.6 | 176.2 | -162.8 | -145.5 | 149.8 | 0 | 0 | 112.3 | K119 F123 L169 A202 I204 L210 G211 | K119-E206 WeakPolarHBondContact CE-OE1 3.4Å; K119-E206 IonicContact NZ-OE1 2.74Å; K119-E206 PolarHBondContact NZ-OE1 2.85Å; K119-E206 IonicContact NZ-OE2 3.24Å; F123-E206 HydrophobicContact CE2-CG 4.39Å; F123-E206 WeakPolarHBondContact CE2-OE1 3.2Å; F123-E206 HydrophobicContact CZ-CG 3.77Å; F123-E206 WeakPolarHBondContact CZ-OE1 3.37Å; L169-E206 HydrophobicContact CD2-CG 4.36Å; A202-E206 WeakPolarHBondContact O-CB 3.47Å; A202-E206 PolarHBondContact O-N 2.87Å; I204-E206 PolarHBondContact O-N 2.88Å; E206-L210 WeakPolarHBondContact O-CB 3.2Å; E206-G211 PolarHBondContact O-N 2.89Å |
| 207 | L | 86 | Confident | 86.8 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -76.7 | -49.7 | -176.4 | -79.7 | 173.4 | 0 | 0 | 0 | 113.9 | K119 L122 R203 I204 G211 F212 Y267 H268 | K119-L207 VanDerWaalsContact NZ-CG 3.26Å; L122-L207 HydrophobicContact CD1-CD2 4.3Å; R203-L207 HydrophobicContact CG-CD1 3.9Å; R203-L207 VanDerWaalsContact O-CB 3.28Å; R203-L207 WeakPolarHBondContact O-CB 3.37Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 2.95Å; I204-L207 PolarHBondContact O-N 3.27Å; L207-G211 CarbonylContact O-C 3.56Å; L207-G211 VanDerWaalsContact O-C 3.28Å; L207-G211 WeakPolarHBondContact O-CA 3.49Å; L207-G211 PolarHBondContact O-N 2.92Å; L207-F212 PolarHBondContact O-N 3.45Å; L207-Y267 HydrophobicContact CD2-CE1 4.17Å; L207-H268 PolarHBondContact O-CE1 3.48Å; L207-H268 PolarHBondContact O-ND1 2.98Å; L207-H268 VanDerWaalsContact O-ND1 3.11Å |
| 208 | N | 85.8 | Confident | 87.3 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -87.2 | -39.1 | -171.4 | -73 | -69.9 | 0 | 0 | 0 | 112.5 | I204 F212 L213 H268 | I204-N208 HydrophobicContact CG2-CB 4.36Å; I204-N208 WeakPolarHBondContact O-CB 3.46Å; I204-N208 PolarHBondContact O-N 3.08Å; N208-F212 WeakPolarHBondContact O-CB 3.38Å; N208-L213 WeakPolarHBondContact O-CB 3.21Å; N208-L213 WeakPolarHBondContact O-CG 3.43Å; N208-L213 PolarHBondContact O-N 2.84Å; N208-H268 PolarHBondContact OD1-O 3Å; N208-H268 VanDerWaalsContact OD1-O 3.13Å |
| 209 | I | 89.4 | Confident | 87.3 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -82.3 | -59.7 | 178.9 | -49.4 | -53.3 | 0 | 0 | 0 | 109.7 | V205 L213 L214 | V205-I209 HydrophobicContact CG1-CB 4.37Å; V205-I209 HydrophobicContact CG1-CG1 4.29Å; V205-I209 WeakPolarHBondContact O-CA 3.21Å; V205-I209 WeakPolarHBondContact O-CB 3.27Å; V205-I209 PolarHBondContact O-N 3.41Å; I209-L213 HydrophobicContact CD1-CD1 3.77Å; I209-L213 PolarHBondContact O-N 3.35Å; I209-L214 VanDerWaalsContact O-CB 3.26Å; I209-L214 WeakPolarHBondContact O-CB 3.2Å; I209-L214 PolarHBondContact O-N 3.01Å |
| 210 | L | 89.4 | Confident | 87.3 | Confident | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.293 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -76.6 | -36.6 | -174.8 | -53.2 | -180 | 0 | 0 | 0 | 112.3 | L169 V205 E206 L214 P215 | L169-L210 HydrophobicContact CD2-CD1 3.85Å; V205-L210 PolarHBondContact O-N 2.91Å; E206-L210 WeakPolarHBondContact O-CB 3.2Å; L210-L214 HydrophobicContact CD2-CD2 4.35Å; L210-P215 VanDerWaalsContact O-CD 3.27Å; L210-P215 WeakPolarHBondContact O-CD 3.4Å; L210-P215 WeakPolarHBondContact O-CG 3.42Å |
| 211 | G | 86.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -84.5 | -7.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I126 E206 L207 H268 | I126-G211 WeakPolarHBondContact CD1-O 3.46Å; E206-G211 PolarHBondContact O-N 2.89Å; L207-G211 CarbonylContact O-C 3.56Å; L207-G211 VanDerWaalsContact O-C 3.28Å; L207-G211 WeakPolarHBondContact O-CA 3.49Å; L207-G211 PolarHBondContact O-N 2.92Å; G211-H268 PolarHBondContact O-CE1 2.99Å; G211-H268 PolarHBondContact O-NE2 2.63Å |
| 212 | F | 86.3 | Confident | 87.8 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -146.3 | -67.4 | -178.5 | -170.8 | -114.7 | 0 | 0 | 0 | 115.1 | L207 N208 L214 P215 L216 F260 L261 W264 A265 H268 | L207-F212 PolarHBondContact O-N 3.45Å; N208-F212 WeakPolarHBondContact O-CB 3.38Å; F212-L214 PolarHBondContact O-N 3.4Å; F212-P215 WeakPolarHBondContact O-CD 3.43Å; F212-L216 HydrophobicContact CE1-CD2 4Å; F212-L216 HydrophobicContact CZ-CD2 3.91Å; F212-L216 WeakPolarHBondContact O-CB 3.49Å; F212-L216 PolarHBondContact O-N 2.99Å; F212-F260 HydrophobicContact CD2-CE1 4.19Å; F212-F260 HydrophobicContact CD2-CZ 4.26Å; F212-F260 HydrophobicContact CE2-CE1 4.11Å; F212-L261 HydrophobicContact CE2-CD2 4.4Å; F212-L261 HydrophobicContact CZ-CD2 4.18Å; F212-W264 HydrophobicContact CD2-CB 4.39Å; F212-W264 HydrophobicContact CE2-CB 4.36Å; F212-A265 HydrophobicContact CE2-CB 4.07Å; F212-A265 HydrophobicContact CZ-CB 3.72Å; F212-H268 HydrophobicContact CB-CB 4.16Å; F212-H268 VanDerWaalsContact CB-CD2 3.5Å; F212-H268 WeakPolarHBondContact CB-CD2 3.36Å; F212-H268 VanDerWaalsContact CB-CG 3.49Å; F212-H268 HydrophobicContact CD1-CB 4.06Å; F212-H268 HydrophobicContact CD2-CB 4.35Å; F212-H268 AromaticContact CD2-CD2 3.26Å; F212-H268 WeakPolarHBondContact CD2-CD2 3.25Å; F212-H268 AromaticContact CD2-CG 3.89Å; F212-H268 AromaticContact CD2-NE2 3.89Å; F212-H268 HydrophobicContact CG-CB 3.94Å; F212-H268 AromaticContact CG-CD2 3.47Å; F212-H268 VanDerWaalsContact CG-CD2 3.47Å; F212-H268 WeakPolarHBondContact CG-CD2 3.08Å; F212-H268 AromaticContact CG-CG 3.62Å |
| 213 | L | 89 | Confident | 87.4 | Confident | 90 Ų | 90 | 40.7 Ų | 40.7 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -63.7 | -44.9 | -168.8 | -72.4 | 175.2 | 0 | 0 | 0 | 112.9 | N208 I209 L216 A217 | N208-L213 WeakPolarHBondContact O-CB 3.21Å; N208-L213 WeakPolarHBondContact O-CG 3.43Å; N208-L213 PolarHBondContact O-N 2.84Å; I209-L213 HydrophobicContact CD1-CD1 3.77Å; I209-L213 PolarHBondContact O-N 3.35Å; L213-L216 PolarHBondContact O-N 3.25Å; L213-A217 VanDerWaalsContact O-CB 3.27Å; L213-A217 WeakPolarHBondContact O-CB 3.42Å; L213-A217 PolarHBondContact O-N 3.35Å |
| 214 | L | 91.4 | Very high | 87.3 | Confident | 102 Ų | 102 | 45.9 Ų | 45.9 | 53% | 0.534 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -51.3 | 179 | 176.1 | 87.8 | 0 | 0 | 0 | 111.3 | I209 L210 F212 L216 A217 A218 | I209-L214 VanDerWaalsContact O-CB 3.26Å; I209-L214 WeakPolarHBondContact O-CB 3.2Å; I209-L214 PolarHBondContact O-N 3.01Å; L210-L214 HydrophobicContact CD2-CD2 4.35Å; F212-L214 PolarHBondContact O-N 3.4Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 3.44Å; L214-A217 PolarHBondContact O-N 3.26Å; L214-A218 PolarHBondContact O-N 3.31Å |
| 215 | P | 89.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.1 | -42.3 | 173 | -28.8 | 36.4 | 0 | 0 | 0 | 114.1 | I126 F127 V130 L210 F212 A218 I219 | I126-P215 HydrophobicContact CD1-CB 3.46Å; I126-P215 VanDerWaalsContact CD1-CB 3.46Å; I126-P215 HydrophobicContact CD1-CG 3.54Å; I126-P215 HydrophobicContact CG1-CB 3.52Å; I126-P215 HydrophobicContact CG1-CG 3.86Å; I126-P215 HydrophobicContact CG2-CG 4.5Å; F127-P215 HydrophobicContact CD1-CG 4.45Å; F127-P215 HydrophobicContact CE1-CG 4.14Å; V130-P215 HydrophobicContact CG2-CB 3.74Å; L210-P215 VanDerWaalsContact O-CD 3.27Å; L210-P215 WeakPolarHBondContact O-CD 3.4Å; L210-P215 WeakPolarHBondContact O-CG 3.42Å; F212-P215 WeakPolarHBondContact O-CD 3.43Å; P215-A218 PolarHBondContact O-N 3.36Å; P215-I219 WeakPolarHBondContact O-CB 3.46Å; P215-I219 WeakPolarHBondContact O-CD1 3.45Å; P215-I219 WeakPolarHBondContact O-CG1 3.33Å; P215-I219 PolarHBondContact O-N 2.74Å |
| 216 | L | 87.4 | Confident | 86.9 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.5 | 177.1 | 60 | 0 | 0 | 0 | 110.9 | F212 L213 L214 A218 I219 V220 L261 | F212-L216 HydrophobicContact CE1-CD2 4Å; F212-L216 HydrophobicContact CZ-CD2 3.91Å; F212-L216 WeakPolarHBondContact O-CB 3.49Å; F212-L216 PolarHBondContact O-N 2.99Å; L213-L216 PolarHBondContact O-N 3.25Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 3.44Å; L216-A218 VanDerWaalsContact C-N 3.3Å; L216-A218 PolarHBondContact O-N 2.88Å; L216-I219 PolarHBondContact O-N 2.78Å; L216-V220 HydrophobicContact CD1-CG2 3.94Å; L216-V220 HydrophobicContact CG-CG2 4.38Å; L216-V220 WeakPolarHBondContact O-CB 3.48Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.41Å; L216-V220 PolarHBondContact O-N 3.18Å; L216-L261 HydrophobicContact CD1-CD2 3.52Å; L216-L261 HydrophobicContact CD1-CG 4.15Å; L216-L261 HydrophobicContact CD2-CD2 3.94Å; L216-L261 HydrophobicContact CG-CD2 4.38Å |
| 217 | A | 90.3 | Very high | 86.4 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 50% | 0.496 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L213 L214 V220 F221 | L213-A217 VanDerWaalsContact O-CB 3.27Å; L213-A217 WeakPolarHBondContact O-CB 3.42Å; L213-A217 PolarHBondContact O-N 3.35Å; L214-A217 PolarHBondContact O-N 3.26Å; A217-V220 PolarHBondContact O-N 3.27Å; A217-F221 WeakPolarHBondContact O-CB 3.38Å; A217-F221 PolarHBondContact O-N 2.76Å |
| 218 | A | 90.8 | Very high | 86.3 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V130 L214 P215 L216 F221 F222 | V130-A218 HydrophobicContact CG1-CB 3.97Å; L214-A218 PolarHBondContact O-N 3.31Å; P215-A218 PolarHBondContact O-N 3.36Å; L216-A218 VanDerWaalsContact C-N 3.3Å; L216-A218 PolarHBondContact O-N 2.88Å; A218-F221 PolarHBondContact O-N 2.82Å; A218-F222 HydrophobicContact CB-CE2 4.22Å; A218-F222 WeakPolarHBondContact O-CD2 3.38Å; A218-F222 WeakPolarHBondContact O-CG 3.42Å; A218-F222 PolarHBondContact O-N 3.29Å |
| 219 | I | 85.7 | Confident | 86 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 177.6 | -71.4 | 165.7 | 0 | 0 | 0 | 110 | V129 V130 P215 L216 F221 F222 N223 V257 F260 | V129-I219 HydrophobicContact CG1-CD1 3.81Å; V129-I219 HydrophobicContact CG1-CG1 4.48Å; V130-I219 HydrophobicContact CG2-CD1 4.03Å; V130-I219 HydrophobicContact CG2-CG1 3.91Å; P215-I219 WeakPolarHBondContact O-CB 3.46Å; P215-I219 WeakPolarHBondContact O-CD1 3.45Å; P215-I219 WeakPolarHBondContact O-CG1 3.33Å; P215-I219 PolarHBondContact O-N 2.74Å; L216-I219 PolarHBondContact O-N 2.78Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 3.19Å; I219-F222 PolarHBondContact O-N 2.89Å; I219-N223 WeakPolarHBondContact CG2-ND2 3.23Å; I219-N223 WeakPolarHBondContact O-CB 3.27Å; I219-N223 PolarHBondContact O-N 2.87Å; I219-N223 PolarHBondContact O-ND2 3.36Å; I219-V257 HydrophobicContact CG2-CB 4.46Å; I219-V257 HydrophobicContact CG2-CG1 4.36Å; I219-V257 HydrophobicContact CG2-CG2 3.57Å; I219-F260 HydrophobicContact CD1-CD1 4.44Å |
| 220 | V | 86 | Confident | 85.3 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L216 A217 N223 Y224 | L216-V220 HydrophobicContact CD1-CG2 3.94Å; L216-V220 HydrophobicContact CG-CG2 4.38Å; L216-V220 WeakPolarHBondContact O-CB 3.48Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.41Å; L216-V220 PolarHBondContact O-N 3.18Å; A217-V220 PolarHBondContact O-N 3.27Å; V220-N223 PolarHBondContact O-N 3.33Å; V220-Y224 VanDerWaalsContact O-CB 3.24Å; V220-Y224 WeakPolarHBondContact O-CB 3.3Å; V220-Y224 PolarHBondContact O-N 3.25Å |
| 221 | F | 89.8 | Confident | 84.6 | Confident | 102 Ų | 102 | 50.3 Ų | 50.3 | 45% | 0.447 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.6 | -53.8 | 177.4 | 172.8 | -94.4 | 0 | 0 | 0 | 112.1 | A217 A218 I219 N223 Y224 H225 | A217-F221 WeakPolarHBondContact O-CB 3.38Å; A217-F221 PolarHBondContact O-N 2.76Å; A218-F221 PolarHBondContact O-N 2.82Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 3.19Å; F221-N223 VanDerWaalsContact C-N 3.31Å; F221-N223 PolarHBondContact O-N 3.17Å; F221-Y224 PolarHBondContact O-N 2.99Å; F221-H225 AromaticContact CD2-CD2 3.73Å; F221-H225 AromaticContact CD2-NE2 3.79Å; F221-H225 AromaticContact CE1-CD2 3.96Å; F221-H225 AromaticContact CE2-CD2 3.39Å; F221-H225 WeakPolarHBondContact CE2-CD2 3.48Å; F221-H225 AromaticContact CE2-NE2 3.15Å; F221-H225 WeakPolarHBondContact CE2-NE2 3.35Å; F221-H225 AromaticContact CZ-CD2 3.51Å; F221-H225 AromaticContact CZ-NE2 3.53Å; F221-H225 PolarHBondContact O-CD2 2.96Å; F221-H225 VanDerWaalsContact O-CD2 3.3Å; F221-H225 PolarHBondContact O-N 3.41Å; F221-H225 VanDerWaalsContact O-N 3.12Å |
| 222 | F | 86 | Confident | 84.1 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | -179.3 | -68.3 | -48.6 | 0 | 0 | 0 | 111.7 | V130 Q134 Y137 A218 I219 H225 I226 | V130-F222 HydrophobicContact CG1-CE2 4.26Å; Q134-F222 HydrophobicContact CB-CD2 4.13Å; Q134-F222 HydrophobicContact CB-CE1 4.39Å; Q134-F222 HydrophobicContact CB-CE2 3.75Å; Q134-F222 HydrophobicContact CB-CZ 3.91Å; Q134-F222 HydrophobicContact CG-CE1 4.02Å; Q134-F222 HydrophobicContact CG-CE2 4.11Å; Q134-F222 HydrophobicContact CG-CZ 3.72Å; Y137-F222 AromaticContact CD1-CD1 3.95Å; Y137-F222 HydrophobicContact CD1-CD1 3.95Å; Y137-F222 HydrophobicContact CD1-CE1 4.29Å; Y137-F222 AromaticContact CG-CD1 3.9Å; Y137-F222 HydrophobicContact CG-CD1 3.9Å; A218-F222 HydrophobicContact CB-CE2 4.22Å; A218-F222 WeakPolarHBondContact O-CD2 3.38Å; A218-F222 WeakPolarHBondContact O-CG 3.42Å; A218-F222 PolarHBondContact O-N 3.29Å; I219-F222 PolarHBondContact O-N 2.89Å; F222-H225 PolarHBondContact O-N 3.28Å; F222-I226 WeakPolarHBondContact O-CD1 3.38Å; F222-I226 WeakPolarHBondContact O-CG1 3.34Å; F222-I226 PolarHBondContact O-N 3.07Å |
| 223 | N | 79 | Confident | 83.4 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.8 | -37 | -177.2 | -67.9 | -38.3 | 0 | 0 | 0 | 112.9 | I219 V220 F221 I226 L227 I253 V257 | I219-N223 WeakPolarHBondContact CG2-ND2 3.23Å; I219-N223 WeakPolarHBondContact O-CB 3.27Å; I219-N223 PolarHBondContact O-N 2.87Å; I219-N223 PolarHBondContact O-ND2 3.36Å; V220-N223 PolarHBondContact O-N 3.33Å; F221-N223 VanDerWaalsContact C-N 3.31Å; F221-N223 PolarHBondContact O-N 3.17Å; N223-I226 PolarHBondContact O-N 3.26Å; N223-L227 WeakPolarHBondContact O-CB 3.44Å; N223-L227 PolarHBondContact O-N 3.45Å; N223-I253 HydrophobicContact CB-CG2 4.01Å; N223-I253 WeakPolarHBondContact OD1-CG2 3.22Å; N223-V257 WeakPolarHBondContact ND2-CG2 3.35Å |
| 224 | Y | 84 | Confident | 82.4 | Confident | 155 Ų | 155 | 58.7 Ų | 58.7 | 61% | 0.608 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.9 | -50.2 | 171.5 | 173.1 | -98.3 | 0 | 0 | 0 | 110.9 | V220 F221 I226 L227 A228 | V220-Y224 VanDerWaalsContact O-CB 3.24Å; V220-Y224 WeakPolarHBondContact O-CB 3.3Å; V220-Y224 PolarHBondContact O-N 3.25Å; F221-Y224 PolarHBondContact O-N 2.99Å; Y224-I226 PolarHBondContact O-N 3.41Å; Y224-L227 PolarHBondContact O-N 3.33Å; Y224-A228 WeakPolarHBondContact O-CB 3.22Å; Y224-A228 PolarHBondContact O-N 3.19Å |
| 225 | H | 84.1 | Confident | 81 | Confident | 66 Ų | 66 | 60 Ų | 60 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -33.5 | -179.9 | -79.1 | -74.7 | 0 | 0 | 0 | 113.7 | Y137 F221 F222 L227 S229 | Y137-H225 HydrophobicContact CD2-CB 4.02Å; Y137-H225 HydrophobicContact CE2-CB 3.56Å; F221-H225 AromaticContact CD2-CD2 3.73Å; F221-H225 AromaticContact CD2-NE2 3.79Å; F221-H225 AromaticContact CE1-CD2 3.96Å; F221-H225 AromaticContact CE2-CD2 3.39Å; F221-H225 WeakPolarHBondContact CE2-CD2 3.48Å; F221-H225 AromaticContact CE2-NE2 3.15Å; F221-H225 WeakPolarHBondContact CE2-NE2 3.35Å; F221-H225 AromaticContact CZ-CD2 3.51Å; F221-H225 AromaticContact CZ-NE2 3.53Å; F221-H225 PolarHBondContact O-CD2 2.96Å; F221-H225 VanDerWaalsContact O-CD2 3.3Å; F221-H225 PolarHBondContact O-N 3.41Å; F221-H225 VanDerWaalsContact O-N 3.12Å; F222-H225 PolarHBondContact O-N 3.28Å; H225-L227 VanDerWaalsContact C-N 3.35Å; H225-S229 WeakPolarHBondContact O-CB 3.14Å; H225-S229 PolarHBondContact O-N 3.28Å |
| 226 | I | 79.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 170 | -71.3 | 164.6 | 0 | 0 | 0 | 109.4 | R136 Y137 L140 V141 F222 N223 Y224 A228 S229 L230 I253 | R136-I226 HydrophobicContact CB-CD1 4.13Å; Y137-I226 HydrophobicContact CD2-CG1 4.09Å; L140-I226 HydrophobicContact CD1-CG2 3.67Å; V141-I226 HydrophobicContact CG2-CG1 4.27Å; F222-I226 WeakPolarHBondContact O-CD1 3.38Å; F222-I226 WeakPolarHBondContact O-CG1 3.34Å; F222-I226 PolarHBondContact O-N 3.07Å; N223-I226 PolarHBondContact O-N 3.26Å; Y224-I226 PolarHBondContact O-N 3.41Å; I226-A228 PolarHBondContact O-N 3.23Å; I226-S229 PolarHBondContact O-N 3.3Å; I226-L230 HydrophobicContact CG2-CD1 3.81Å; I226-L230 HydrophobicContact CG2-CG 4.31Å; I226-L230 WeakPolarHBondContact O-CB 3.11Å; I226-L230 VanDerWaalsContact O-CG 3.28Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 3.03Å; I226-I253 HydrophobicContact CD1-CD1 4.1Å; I226-I253 HydrophobicContact CG2-CD1 4.16Å |
| 227 | L | 79.1 | Confident | 78.3 | Confident | 58 Ų | 58 | 65 Ų | 65 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | -178.3 | -178.9 | 60.3 | 0 | 0 | 0 | 111.8 | N223 Y224 H225 L230 R231 T250 | N223-L227 WeakPolarHBondContact O-CB 3.44Å; N223-L227 PolarHBondContact O-N 3.45Å; Y224-L227 PolarHBondContact O-N 3.33Å; H225-L227 VanDerWaalsContact C-N 3.35Å; L227-L230 PolarHBondContact O-N 2.95Å; L227-R231 HydrophobicContact CD1-CG 4.34Å; L227-R231 WeakPolarHBondContact O-CG 3.28Å; L227-R231 PolarHBondContact O-N 2.94Å; L227-T250 HydrophobicContact CD1-CG2 3.84Å |
| 228 | A | 82.5 | Confident | 76.5 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 28% | 0.281 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y224 I226 L230 R231 T232 | Y224-A228 WeakPolarHBondContact O-CB 3.22Å; Y224-A228 PolarHBondContact O-N 3.19Å; I226-A228 PolarHBondContact O-N 3.23Å; A228-L230 VanDerWaalsContact C-N 3.31Å; A228-L230 PolarHBondContact O-N 3.37Å; A228-R231 PolarHBondContact O-N 3.03Å; A228-T232 PolarHBondContact O-N 3.09Å; A228-T232 PolarHBondContact O-OG1 3.42Å; A228-T232 VanDerWaalsContact O-OG1 3.05Å |
| 229 | S | 80.4 | Confident | 74.8 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 16% | 0.161 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | H225 I226 R233 | H225-S229 WeakPolarHBondContact O-CB 3.14Å; H225-S229 PolarHBondContact O-N 3.28Å; I226-S229 PolarHBondContact O-N 3.3Å; S229-R233 WeakPolarHBondContact O-CG 3.35Å; S229-R233 PolarHBondContact O-N 3.26Å |
| 230 | L | 74.1 | Confident | 73.1 | Confident | 8 Ų | 8 | 86.5 Ų | 86.5 | 4% | 0.042 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 177.5 | -70.8 | 176.8 | 0 | 0 | 0 | 111.5 | I226 L227 A228 R233 E234 D246 T250 | I226-L230 HydrophobicContact CG2-CD1 3.81Å; I226-L230 HydrophobicContact CG2-CG 4.31Å; I226-L230 WeakPolarHBondContact O-CB 3.11Å; I226-L230 VanDerWaalsContact O-CG 3.28Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 3.03Å; L227-L230 PolarHBondContact O-N 2.95Å; A228-L230 VanDerWaalsContact C-N 3.31Å; A228-L230 PolarHBondContact O-N 3.37Å; L230-R233 PolarHBondContact O-N 2.83Å; L230-E234 WeakPolarHBondContact O-CB 3.33Å; L230-E234 PolarHBondContact O-N 3.36Å; L230-D246 HydrophobicContact CD2-CB 4.06Å; L230-D246 WeakPolarHBondContact CD2-OD2 3.43Å; L230-T250 WeakPolarHBondContact CD1-OG1 3.24Å |
| 231 | R | 76.1 | Confident | 71.1 | Confident | 149 Ų | 149 | 89.4 Ų | 89.4 | 56% | 0.562 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 175.6 | -74.8 | 178.7 | -179.4 | -175 | 0 | 111.7 | L227 A228 R233 E234 E235 | L227-R231 HydrophobicContact CD1-CG 4.34Å; L227-R231 WeakPolarHBondContact O-CG 3.28Å; L227-R231 PolarHBondContact O-N 2.94Å; A228-R231 PolarHBondContact O-N 3.03Å; R231-R233 VanDerWaalsContact C-N 3.3Å; R231-R233 PolarHBondContact O-N 3.04Å; R231-E234 PolarHBondContact O-N 3.22Å; R231-E234 VanDerWaalsContact O-N 3.12Å; R231-E235 WeakPolarHBondContact O-CG 3.3Å; R231-E235 PolarHBondContact O-N 2.87Å |
| 232 | T | 74.3 | Confident | 69.1 | Low | 82 Ų | 82 | 88.2 Ų | 88.2 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.1 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | A228 V236 | A228-T232 PolarHBondContact O-N 3.09Å; A228-T232 PolarHBondContact O-OG1 3.42Å; A228-T232 VanDerWaalsContact O-OG1 3.05Å; T232-V236 VanDerWaalsContact O-CG2 3.26Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.17Å |
| 233 | R | 71.6 | Confident | 67 | Low | 99 Ų | 99 | 89.6 Ų | 89.6 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 175.4 | -74.2 | 179.2 | -176.9 | 169.9 | 11 | 112.4 | L140 V141 S229 L230 R231 V236 S237 | L140-R233 PolarHBondContact O-NH1 3.32Å; L140-R233 PolarHBondContact O-NH2 2.97Å; V141-R233 PolarHBondContact O-NH2 3.2Å; S229-R233 WeakPolarHBondContact O-CG 3.35Å; S229-R233 PolarHBondContact O-N 3.26Å; L230-R233 PolarHBondContact O-N 2.83Å; R231-R233 VanDerWaalsContact C-N 3.3Å; R231-R233 PolarHBondContact O-N 3.04Å; R233-V236 PolarHBondContact O-N 3.07Å; R233-S237 VanDerWaalsContact O-CB 3.24Å; R233-S237 WeakPolarHBondContact O-CB 3.43Å; R233-S237 PolarHBondContact O-N 3.1Å; R233-S237 PolarHBondContact O-OG 3.48Å |
| 234 | E | 68.1 | Low | 65.6 | Low | 109 Ų | 109 | 100.8 Ų | 100.8 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 177.2 | -167.9 | 167.7 | -172 | 0 | 0 | 110.7 | L230 R231 S237 R238 | L230-E234 WeakPolarHBondContact O-CB 3.33Å; L230-E234 PolarHBondContact O-N 3.36Å; R231-E234 PolarHBondContact O-N 3.22Å; R231-E234 VanDerWaalsContact O-N 3.12Å; E234-S237 WeakPolarHBondContact CA-OG 3.5Å; E234-S237 CarbonylContact O-C 3.03Å; E234-S237 PolarHBondContact O-N 3.38Å; E234-S237 VanDerWaalsContact O-N 3.15Å; E234-S237 PolarHBondContact O-OG 3.41Å; E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 WeakPolarHBondContact O-CG 3.45Å; E234-R238 PolarHBondContact O-N 3.18Å |
| 235 | E | 62.4 | Low | 64 | Low | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -45.7 | 173.3 | -73.3 | 170.3 | -176.6 | 0 | 0 | 112.4 | R231 S237 R238 T239 | R231-E235 WeakPolarHBondContact O-CG 3.3Å; R231-E235 PolarHBondContact O-N 2.87Å; E235-S237 VanDerWaalsContact C-N 3.29Å; E235-S237 PolarHBondContact O-N 2.98Å; E235-R238 PolarHBondContact O-N 2.87Å; E235-T239 PolarHBondContact O-OG1 3.37Å |
| 236 | V | 61.8 | Low | 62.6 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.9 | -27.5 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | T232 R233 T239 | T232-V236 VanDerWaalsContact O-CG2 3.26Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.17Å; R233-V236 PolarHBondContact O-N 3.07Å; V236-T239 PolarHBondContact O-OG1 2.89Å |
| 237 | S | 57.9 | Low | 61.4 | Low | 40 Ų | 40 | 105 Ų | 105 | 28% | 0.28 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -86.1 | -25.6 | 176.9 | 77.8 | 0 | 0 | 0 | 0 | 113 | R233 E234 E235 T239 R240 | R233-S237 VanDerWaalsContact O-CB 3.24Å; R233-S237 WeakPolarHBondContact O-CB 3.43Å; R233-S237 PolarHBondContact O-N 3.1Å; R233-S237 PolarHBondContact O-OG 3.48Å; E234-S237 WeakPolarHBondContact CA-OG 3.5Å; E234-S237 CarbonylContact O-C 3.03Å; E234-S237 PolarHBondContact O-N 3.38Å; E234-S237 VanDerWaalsContact O-N 3.15Å; E234-S237 PolarHBondContact O-OG 3.41Å; E235-S237 VanDerWaalsContact C-N 3.29Å; E235-S237 PolarHBondContact O-N 2.98Å; S237-T239 PolarHBondContact O-N 3.43Å; S237-R240 CarbonylContact O-C 3.19Å; S237-R240 WeakPolarHBondContact O-CA 3.5Å; S237-R240 PolarHBondContact O-N 2.64Å |
| 238 | R | 53.4 | Low | 60.5 | Low | 202 Ų | 202 | 108.7 Ų | 108.7 | 76% | 0.762 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.9 | -25.9 | 174.6 | -81.5 | 176.5 | 64.2 | 120 | 0.6 | 111.9 | E234 E235 R240 | E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 WeakPolarHBondContact O-CG 3.45Å; E234-R238 PolarHBondContact O-N 3.18Å; E235-R238 PolarHBondContact O-N 2.87Å; R238-R240 VanDerWaalsContact C-N 3.31Å |
| 239 | T | 55.3 | Low | 59.2 | Low | 122 Ų | 122 | 109 Ų | 109 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -10.9 | 169 | 36.6 | 0 | 0 | 0 | 0 | 113.7 | E235 V236 S237 | E235-T239 PolarHBondContact O-OG1 3.37Å; V236-T239 PolarHBondContact O-OG1 2.89Å; S237-T239 PolarHBondContact O-N 3.43Å |
| 240 | R | 49.5 | Very low | 58.2 | Low | 214 Ų | 214 | 109.7 Ų | 109.7 | 81% | 0.808 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -128.1 | 85.3 | 172.8 | -80.4 | -175.5 | 175.2 | -177.3 | -0.7 | 110.3 | S237 R238 G242 | S237-R240 CarbonylContact O-C 3.19Å; S237-R240 WeakPolarHBondContact O-CA 3.5Å; S237-R240 PolarHBondContact O-N 2.64Å; R238-R240 VanDerWaalsContact C-N 3.31Å; R240-G242 PolarHBondContact O-N 3.43Å |
| 241 | C | 43.5 | Very low | 57.8 | Low | 137 Ų | 137 | 111.5 Ų | 111.5 | 93% | 0.926 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -13.7 | 111.1 | 178.2 | -79.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 242 | G | 48.3 | Very low | 57.3 | Low | 77 Ų | 77 | 105.9 Ų | 105.9 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | trans | 106.7 | 105 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R240 | R240-G242 PolarHBondContact O-N 3.43Š| ||
| 243 | G | 42.2 | Very low | 56.8 | Low | 55 Ų | 55 | 102.6 Ų | 102.6 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | trans | -174.3 | 54 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | K245 | G243-K245 VanDerWaalsContact C-N 3.28Å; G243-K245 PolarHBondContact O-N 3.23Å | ||
| 244 | R | 49.6 | Very low | 56.6 | Low | 256 Ų | 256 | 103.2 Ų | 103.2 | 97% | 0.966 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 65.7 | 175.5 | -168.2 | 174.9 | 179.2 | 171.2 | -0.7 | 112.6 | ||
| 245 | K | 50.4 | Low | 56.7 | Low | 146 Ų | 146 | 100.7 Ų | 100.7 | 64% | 0.635 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -19.9 | -176.3 | -153.3 | 164.8 | -179.4 | 175 | 0 | 116.6 | G243 | G243-K245 VanDerWaalsContact C-N 3.28Å; G243-K245 PolarHBondContact O-N 3.23Å |
| 246 | D | 54.4 | Low | 57.1 | Low | 71 Ų | 71 | 95.4 Ų | 95.4 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -94 | -18.4 | -170.6 | -77.5 | -20.2 | 0 | 0 | 0 | 116.4 | L230 K248 T249 T250 | L230-D246 HydrophobicContact CD2-CB 4.06Å; L230-D246 WeakPolarHBondContact CD2-OD2 3.43Å; D246-K248 PolarHBondContact O-N 3.12Å; D246-K248 VanDerWaalsContact O-N 3.11Å; D246-T249 PolarHBondContact O-N 3.44Å; D246-T249 VanDerWaalsContact O-N 3.1Å; D246-T250 PolarHBondContact O-N 2.88Å; D246-T250 PolarHBondContact O-OG1 3.43Å |
| 247 | S | 55.3 | Low | 57.6 | Low | 94 Ų | 94 | 91.7 Ų | 91.7 | 66% | 0.657 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.6 | -32.4 | -179.6 | 169.3 | 0 | 0 | 0 | 0 | 114.4 | A251 | S247-A251 WeakPolarHBondContact O-CB 3.47Å; S247-A251 PolarHBondContact O-N 3.13Å |
| 248 | K | 58.6 | Low | 58.6 | Low | 135 Ų | 135 | 93.3 Ų | 93.3 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.3 | -29.3 | -179 | -61.6 | -169.9 | -178.7 | -173 | 0 | 113.3 | D246 L252 | D246-K248 PolarHBondContact O-N 3.12Å; D246-K248 VanDerWaalsContact O-N 3.11Å; K248-L252 PolarHBondContact O-N 3.16Å |
| 249 | T | 56.9 | Low | 59.9 | Low | 41 Ų | 41 | 84.4 Ų | 84.4 | 25% | 0.252 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75 | -39.2 | 176.4 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | L140 D246 L252 I253 | L140-T249 HydrophobicContact CD1-CG2 3.98Å; D246-T249 PolarHBondContact O-N 3.44Å; D246-T249 VanDerWaalsContact O-N 3.1Å; T249-L252 PolarHBondContact O-N 3.33Å; T249-I253 HydrophobicContact CG2-CD1 4.16Å; T249-I253 WeakPolarHBondContact O-CD1 3.36Å; T249-I253 VanDerWaalsContact O-CG1 3.27Å; T249-I253 WeakPolarHBondContact O-CG1 3.27Å; T249-I253 PolarHBondContact O-N 2.89Å; T249-I253 VanDerWaalsContact O-N 3.17Å |
| 250 | T | 58.8 | Low | 60.9 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 23% | 0.233 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 172.4 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | L227 L230 D246 I253 L254 | L227-T250 HydrophobicContact CD1-CG2 3.84Å; L230-T250 WeakPolarHBondContact CD1-OG1 3.24Å; D246-T250 PolarHBondContact O-N 2.88Å; D246-T250 PolarHBondContact O-OG1 3.43Å; T250-I253 PolarHBondContact O-N 3.42Å; T250-L254 WeakPolarHBondContact O-CB 3.48Å; T250-L254 PolarHBondContact O-N 3.09Å |
| 251 | A | 65 | Low | 62.4 | Low | 45 Ų | 45 | 71.4 Ų | 71.4 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S247 I253 L254 T255 | S247-A251 WeakPolarHBondContact O-CB 3.47Å; S247-A251 PolarHBondContact O-N 3.13Å; A251-I253 VanDerWaalsContact C-N 3.26Å; A251-I253 PolarHBondContact O-N 2.95Å; A251-L254 PolarHBondContact O-N 3.36Å; A251-T255 WeakPolarHBondContact O-CB 3.39Å; A251-T255 PolarHBondContact O-N 3.49Å; A251-T255 PolarHBondContact O-OG1 3.48Å |
| 252 | L | 65.6 | Low | 64.4 | Low | 31 Ų | 31 | 68.8 Ų | 68.8 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -53.6 | -45.6 | 174.3 | 172.5 | 63.1 | 0 | 0 | 0 | 112.5 | K248 T249 T255 L256 I312 V316 | K248-L252 PolarHBondContact O-N 3.16Å; T249-L252 PolarHBondContact O-N 3.33Å; L252-T255 PolarHBondContact O-N 3.42Å; L252-L256 HydrophobicContact CD1-CD1 4.2Å; L252-L256 HydrophobicContact CD1-CG 4.42Å; L252-L256 HydrophobicContact CG-CD1 4.28Å; L252-L256 WeakPolarHBondContact O-CG 3Å; L252-L256 PolarHBondContact O-N 2.92Å; L252-I312 HydrophobicContact CD1-CG2 4.13Å; L252-V316 HydrophobicContact CB-CB 4.4Å; L252-V316 HydrophobicContact CB-CG1 3.73Å; L252-V316 HydrophobicContact CD1-CB 3.54Å; L252-V316 HydrophobicContact CD1-CG1 3.83Å; L252-V316 HydrophobicContact CG-CG1 4.38Å |
| 253 | I | 64.2 | Low | 66.3 | Low | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.9 | -47.7 | -177.6 | -72.9 | 169.8 | 0 | 0 | 0 | 110.7 | L140 N223 I226 T249 T250 A251 T255 L256 V257 | L140-I253 HydrophobicContact CD1-CD1 4.34Å; N223-I253 HydrophobicContact CB-CG2 4.01Å; N223-I253 WeakPolarHBondContact OD1-CG2 3.22Å; I226-I253 HydrophobicContact CD1-CD1 4.1Å; I226-I253 HydrophobicContact CG2-CD1 4.16Å; T249-I253 HydrophobicContact CG2-CD1 4.16Å; T249-I253 WeakPolarHBondContact O-CD1 3.36Å; T249-I253 VanDerWaalsContact O-CG1 3.27Å; T249-I253 WeakPolarHBondContact O-CG1 3.27Å; T249-I253 PolarHBondContact O-N 2.89Å; T249-I253 VanDerWaalsContact O-N 3.17Å; T250-I253 PolarHBondContact O-N 3.42Å; A251-I253 VanDerWaalsContact C-N 3.26Å; A251-I253 PolarHBondContact O-N 2.95Å; I253-T255 VanDerWaalsContact C-N 3.3Å; I253-T255 PolarHBondContact O-N 3.05Å; I253-L256 PolarHBondContact O-N 3.4Å; I253-V257 WeakPolarHBondContact O-CG2 3.49Å; I253-V257 PolarHBondContact O-N 3.25Å; I253-V257 VanDerWaalsContact O-N 3.11Å |
| 254 | L | 67.9 | Low | 68.4 | Low | 111 Ų | 111 | 63.3 Ų | 63.3 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 177.3 | -173.9 | 65.9 | 0 | 0 | 0 | 111.3 | T250 A251 L256 V257 V258 | T250-L254 WeakPolarHBondContact O-CB 3.48Å; T250-L254 PolarHBondContact O-N 3.09Å; A251-L254 PolarHBondContact O-N 3.36Å; L254-L256 VanDerWaalsContact C-N 3.33Å; L254-L256 PolarHBondContact O-N 3.37Å; L254-V257 PolarHBondContact O-N 3.46Å; L254-V258 HydrophobicContact CD1-CG2 4.49Å; L254-V258 HydrophobicContact CG-CG2 4.43Å; L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.37Å; L254-V258 PolarHBondContact O-N 2.95Å |
| 255 | T | 70.1 | Confident | 70.2 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 112 | A251 L252 I253 V258 A259 I312 V316 | A251-T255 WeakPolarHBondContact O-CB 3.39Å; A251-T255 PolarHBondContact O-N 3.49Å; A251-T255 PolarHBondContact O-OG1 3.48Å; L252-T255 PolarHBondContact O-N 3.42Å; I253-T255 VanDerWaalsContact C-N 3.3Å; I253-T255 PolarHBondContact O-N 3.05Å; T255-V258 PolarHBondContact O-N 3.17Å; T255-A259 WeakPolarHBondContact O-CB 3.48Å; T255-A259 PolarHBondContact O-N 2.89Å; T255-I312 HydrophobicContact CG2-CG2 4.11Å; T255-V316 HydrophobicContact CG2-CG2 4.32Å |
| 256 | L | 70.4 | Confident | 72.1 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.7 | -73.9 | 167.3 | 0 | 0 | 0 | 112.3 | L252 I253 L254 F260 I312 Y313 | L252-L256 HydrophobicContact CD1-CD1 4.2Å; L252-L256 HydrophobicContact CD1-CG 4.42Å; L252-L256 HydrophobicContact CG-CD1 4.28Å; L252-L256 WeakPolarHBondContact O-CG 3Å; L252-L256 PolarHBondContact O-N 2.92Å; I253-L256 PolarHBondContact O-N 3.4Å; L254-L256 VanDerWaalsContact C-N 3.33Å; L254-L256 PolarHBondContact O-N 3.37Å; L256-F260 VanDerWaalsContact O-CB 3.26Å; L256-F260 WeakPolarHBondContact O-CB 3.28Å; L256-F260 PolarHBondContact O-N 2.97Å; L256-I312 HydrophobicContact CD2-CB 4.16Å; L256-I312 HydrophobicContact CD2-CD1 4.32Å; L256-I312 HydrophobicContact CD2-CG2 3.41Å; L256-I312 VanDerWaalsContact CD2-CG2 3.41Å; L256-I312 HydrophobicContact CG-CG2 3.8Å; L256-Y313 HydrophobicContact CD1-CE1 3.94Å; L256-Y313 HydrophobicContact CD2-CE1 4.03Å; L256-Y313 HydrophobicContact CD2-CE2 4.35Å |
| 257 | V | 71.8 | Confident | 73.8 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | I219 N223 I253 L254 F260 L261 | I219-V257 HydrophobicContact CG2-CB 4.46Å; I219-V257 HydrophobicContact CG2-CG1 4.36Å; I219-V257 HydrophobicContact CG2-CG2 3.57Å; N223-V257 WeakPolarHBondContact ND2-CG2 3.35Å; I253-V257 WeakPolarHBondContact O-CG2 3.49Å; I253-V257 PolarHBondContact O-N 3.25Å; I253-V257 VanDerWaalsContact O-N 3.11Å; L254-V257 PolarHBondContact O-N 3.46Å; V257-F260 PolarHBondContact O-N 2.87Å; V257-L261 HydrophobicContact CG1-CD1 4Å; V257-L261 HydrophobicContact CG1-CG 4.46Å; V257-L261 WeakPolarHBondContact O-CB 3.44Å; V257-L261 WeakPolarHBondContact O-CG 3.27Å; V257-L261 PolarHBondContact O-N 2.03Å |
| 258 | V | 79.7 | Confident | 75.4 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -45.1 | -179.8 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L254 T255 F260 L261 V262 | L254-V258 HydrophobicContact CD1-CG2 4.49Å; L254-V258 HydrophobicContact CG-CG2 4.43Å; L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.37Å; L254-V258 PolarHBondContact O-N 2.95Å; T255-V258 PolarHBondContact O-N 3.17Å; V258-F260 VanDerWaalsContact C-N 3.35Å; V258-F260 PolarHBondContact O-N 3.38Å; V258-L261 PolarHBondContact O-N 3.49Å; V258-V262 HydrophobicContact CG1-CG2 4.17Å; V258-V262 WeakPolarHBondContact O-CB 3.44Å; V258-V262 VanDerWaalsContact O-CG2 3.28Å; V258-V262 WeakPolarHBondContact O-CG2 3.48Å; V258-V262 PolarHBondContact O-N 3.41Å |
| 259 | A | 80.3 | Confident | 76.9 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T255 L261 V262 C263 I312 | T255-A259 WeakPolarHBondContact O-CB 3.48Å; T255-A259 PolarHBondContact O-N 2.89Å; A259-L261 PolarHBondContact O-N 3.16Å; A259-V262 PolarHBondContact O-N 2.8Å; A259-C263 WeakPolarHBondContact O-CB 3.4Å; A259-C263 PolarHBondContact O-N 3.43Å; A259-C263 PolarHBondContact O-SG 2.91Å; A259-I312 HydrophobicContact CB-CD1 3.41Å; A259-I312 VanDerWaalsContact CB-CD1 3.41Å |
| 260 | F | 76.8 | Confident | 78.5 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 175.7 | 175.5 | -95.1 | 0 | 0 | 0 | 111.6 | I126 F212 I219 L256 V257 V258 C263 W264 | I126-F260 HydrophobicContact CB-CE2 4.28Å; I126-F260 HydrophobicContact CD1-CE1 4.42Å; I126-F260 HydrophobicContact CD1-CE2 3.54Å; I126-F260 HydrophobicContact CD1-CZ 3.27Å; I126-F260 HydrophobicContact CG1-CE2 3.53Å; I126-F260 HydrophobicContact CG1-CZ 3.71Å; F212-F260 HydrophobicContact CD2-CE1 4.19Å; F212-F260 HydrophobicContact CD2-CZ 4.26Å; F212-F260 HydrophobicContact CE2-CE1 4.11Å; I219-F260 HydrophobicContact CD1-CD1 4.44Å; L256-F260 VanDerWaalsContact O-CB 3.26Å; L256-F260 WeakPolarHBondContact O-CB 3.28Å; L256-F260 PolarHBondContact O-N 2.97Å; V257-F260 PolarHBondContact O-N 2.87Å; V258-F260 VanDerWaalsContact C-N 3.35Å; V258-F260 PolarHBondContact O-N 3.38Å; F260-C263 PolarHBondContact O-N 2.71Å; F260-W264 AromaticContact CD2-CD1 3.35Å; F260-W264 HydrophobicContact CD2-CG 4.17Å; F260-W264 AromaticContact CD2-NE1 3.9Å; F260-W264 HydrophobicContact CE2-CB 4.15Å; F260-W264 AromaticContact CE2-CD1 3.25Å; F260-W264 HydrophobicContact CE2-CD2 4.46Å; F260-W264 AromaticContact CE2-CG 3.69Å; F260-W264 HydrophobicContact CE2-CG 3.69Å; F260-W264 AromaticContact CE2-NE1 3.77Å; F260-W264 HydrophobicContact CZ-CB 4.03Å; F260-W264 HydrophobicContact CZ-CG 4.06Å; F260-W264 WeakPolarHBondContact O-CB 3.28Å; F260-W264 PolarHBondContact O-N 3.38Å |
| 261 | L | 80.3 | Confident | 79.9 | Confident | 60 Ų | 60 | 38 Ų | 38 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 178.8 | -78 | 173.6 | 0 | 0 | 0 | 112.3 | F212 L216 V257 V258 A259 C263 A265 | F212-L261 HydrophobicContact CE2-CD2 4.4Å; F212-L261 HydrophobicContact CZ-CD2 4.18Å; L216-L261 HydrophobicContact CD1-CD2 3.52Å; L216-L261 HydrophobicContact CD1-CG 4.15Å; L216-L261 HydrophobicContact CD2-CD2 3.94Å; L216-L261 HydrophobicContact CG-CD2 4.38Å; V257-L261 HydrophobicContact CG1-CD1 4Å; V257-L261 HydrophobicContact CG1-CG 4.46Å; V257-L261 WeakPolarHBondContact O-CB 3.44Å; V257-L261 WeakPolarHBondContact O-CG 3.27Å; V257-L261 PolarHBondContact O-N 2.03Å; V258-L261 PolarHBondContact O-N 3.49Å; A259-L261 PolarHBondContact O-N 3.16Å; L261-C263 VanDerWaalsContact C-N 3.28Å; L261-C263 PolarHBondContact O-N 3.2Å; L261-A265 WeakPolarHBondContact O-CB 3.42Å; L261-A265 PolarHBondContact O-N 3.19Å |
| 262 | V | 86.1 | Confident | 81 | Confident | 82 Ų | 82 | 40.1 Ų | 40.1 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.2 | -36.8 | -179.5 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | V258 A259 P266 F301 | V258-V262 HydrophobicContact CG1-CG2 4.17Å; V258-V262 WeakPolarHBondContact O-CB 3.44Å; V258-V262 VanDerWaalsContact O-CG2 3.28Å; V258-V262 WeakPolarHBondContact O-CG2 3.48Å; V258-V262 PolarHBondContact O-N 3.41Å; A259-V262 PolarHBondContact O-N 2.8Å; V262-P266 WeakPolarHBondContact O-CD 3.12Å; V262-P266 WeakPolarHBondContact O-CG 3.07Å; V262-F301 HydrophobicContact CG1-CD1 4.49Å |
| 263 | C | 87.5 | Confident | 82.1 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.5 | -42.3 | -179.7 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | A259 F260 L261 F301 A302 N305 | A259-C263 WeakPolarHBondContact O-CB 3.4Å; A259-C263 PolarHBondContact O-N 3.43Å; A259-C263 PolarHBondContact O-SG 2.91Å; F260-C263 PolarHBondContact O-N 2.71Å; L261-C263 VanDerWaalsContact C-N 3.28Å; L261-C263 PolarHBondContact O-N 3.2Å; C263-F301 WeakPolarHBondContact CA-O 3.07Å; C263-F301 VanDerWaalsContact CB-O 3.27Å; C263-F301 WeakPolarHBondContact CB-O 3.42Å; C263-F301 CarbonylContact O-C 3.59Å; C263-F301 WeakPolarHBondContact O-CB 3.3Å; C263-A302 VanDerWaalsContact O-CA 3.28Å; C263-A302 WeakPolarHBondContact O-CA 3.46Å; C263-A302 PolarHBondContact O-N 3.47Å; C263-N305 HydrophobicContact CB-CB 3.75Å |
| 264 | W | 85.9 | Confident | 83.1 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -100.2 | -33.9 | -168.8 | -71.1 | 97.8 | 0 | 0 | 0 | 114.4 | L122 F212 F260 P266 Y267 H268 A302 N305 | L122-W264 HydrophobicContact CB-CH2 3.78Å; L122-W264 HydrophobicContact CB-CZ3 4.21Å; L122-W264 HydrophobicContact CD1-CE3 4.32Å; L122-W264 HydrophobicContact CD1-CH2 3.81Å; L122-W264 HydrophobicContact CD1-CZ3 3.34Å; L122-W264 HydrophobicContact CG-CE3 4.37Å; L122-W264 HydrophobicContact CG-CH2 3.49Å; L122-W264 VanDerWaalsContact CG-CH2 3.49Å; L122-W264 HydrophobicContact CG-CZ2 4.47Å; L122-W264 HydrophobicContact CG-CZ3 3.44Å; L122-W264 VanDerWaalsContact CG-CZ3 3.44Å; F212-W264 HydrophobicContact CD2-CB 4.39Å; F212-W264 HydrophobicContact CE2-CB 4.36Å; F260-W264 AromaticContact CD2-CD1 3.35Å; F260-W264 HydrophobicContact CD2-CG 4.17Å; F260-W264 AromaticContact CD2-NE1 3.9Å; F260-W264 HydrophobicContact CE2-CB 4.15Å; F260-W264 AromaticContact CE2-CD1 3.25Å; F260-W264 HydrophobicContact CE2-CD2 4.46Å; F260-W264 AromaticContact CE2-CG 3.69Å; F260-W264 HydrophobicContact CE2-CG 3.69Å; F260-W264 AromaticContact CE2-NE1 3.77Å; F260-W264 HydrophobicContact CZ-CB 4.03Å; F260-W264 HydrophobicContact CZ-CG 4.06Å; F260-W264 WeakPolarHBondContact O-CB 3.28Å; F260-W264 PolarHBondContact O-N 3.38Å; W264-P266 VanDerWaalsContact C-CD 3.45Å; W264-Y267 PolarHBondContact O-N 3.17Å; W264-Y267 VanDerWaalsContact O-N 3.07Å; W264-H268 AromaticContact CE3-NE2 3.8Å; W264-H268 PolarHBondContact O-CD2 2.87Å; W264-H268 PolarHBondContact O-N 3.42Å; W264-A302 HydrophobicContact CE3-CB 4.15Å; W264-A302 HydrophobicContact CH2-CB 4.44Å; W264-A302 HydrophobicContact CZ3-CB 4.01Å; W264-N305 HydrophobicContact CZ2-CB 4.49Å; W264-N305 PolarHBondContact NE1-ND2 3.33Å; W264-N305 PolarHBondContact NE1-OD1 3.27Å |
| 265 | A | 87.7 | Confident | 83.8 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.8 | -40.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | F212 L261 Y267 H268 F269 | F212-A265 HydrophobicContact CE2-CB 4.07Å; F212-A265 HydrophobicContact CZ-CB 3.72Å; L261-A265 WeakPolarHBondContact O-CB 3.42Å; L261-A265 PolarHBondContact O-N 3.19Å; A265-Y267 VanDerWaalsContact C-N 3.3Å; A265-Y267 PolarHBondContact O-N 3.42Å; A265-H268 PolarHBondContact O-N 2.82Å; A265-F269 WeakPolarHBondContact O-CB 3.45Å; A265-F269 PolarHBondContact O-N 3.25Å |
| 266 | P | 91 | Very high | 84.6 | Confident | 36 Ų | 36 | 36.2 Ų | 36.2 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 175.4 | -24.8 | 35.2 | 0 | 0 | 0 | 112.1 | V262 W264 F269 F270 A298 F301 | V262-P266 WeakPolarHBondContact O-CD 3.12Å; V262-P266 WeakPolarHBondContact O-CG 3.07Å; W264-P266 VanDerWaalsContact C-CD 3.45Å; P266-F269 PolarHBondContact O-N 3.34Å; P266-F270 VanDerWaalsContact O-CD2 3.27Å; P266-F270 WeakPolarHBondContact O-CD2 3.18Å; P266-F270 PolarHBondContact O-N 3.09Å; P266-A298 HydrophobicContact CB-CB 3.92Å; P266-F301 HydrophobicContact CG-CB 4.38Å; P266-F301 HydrophobicContact CG-CD2 4.44Å; P266-F301 HydrophobicContact CG-CG 4.42Å |
| 267 | Y | 90.1 | Very high | 85.4 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | -177.3 | 175.8 | -99 | 0 | 0 | 0 | 111.7 | L122 L207 W264 A265 F269 F270 A271 L295 N299 | L122-Y267 HydrophobicContact CD1-CE1 4.29Å; L207-Y267 HydrophobicContact CD2-CE1 4.17Å; W264-Y267 PolarHBondContact O-N 3.17Å; W264-Y267 VanDerWaalsContact O-N 3.07Å; A265-Y267 VanDerWaalsContact C-N 3.3Å; A265-Y267 PolarHBondContact O-N 3.42Å; Y267-F269 VanDerWaalsContact C-N 3.33Å; Y267-F269 PolarHBondContact O-N 2.91Å; Y267-F270 PolarHBondContact O-N 3.28Å; Y267-A271 VanDerWaalsContact O-CB 3.24Å; Y267-A271 WeakPolarHBondContact O-CB 3.28Å; Y267-A271 PolarHBondContact O-N 3Å; Y267-L295 HydrophobicContact CD2-CD1 4.05Å; Y267-L295 HydrophobicContact CE2-CD1 3.92Å; Y267-N299 VanDerWaalsContact CD2-OD1 3.31Å; Y267-N299 WeakPolarHBondContact CD2-OD1 3.46Å; Y267-N299 WeakPolarHBondContact CE2-OD1 3.42Å |
| 268 | H | 88 | Confident | 85.8 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -34.7 | 178.4 | -67.9 | -70.3 | 0 | 0 | 0 | 112.5 | L207 N208 G211 F212 W264 A265 F272 | L207-H268 PolarHBondContact O-CE1 3.48Å; L207-H268 PolarHBondContact O-ND1 2.98Å; L207-H268 VanDerWaalsContact O-ND1 3.11Å; N208-H268 PolarHBondContact OD1-O 3Å; N208-H268 VanDerWaalsContact OD1-O 3.13Å; G211-H268 PolarHBondContact O-CE1 2.99Å; G211-H268 PolarHBondContact O-NE2 2.63Å; F212-H268 HydrophobicContact CB-CB 4.16Å; F212-H268 VanDerWaalsContact CB-CD2 3.5Å; F212-H268 WeakPolarHBondContact CB-CD2 3.36Å; F212-H268 VanDerWaalsContact CB-CG 3.49Å; F212-H268 HydrophobicContact CD1-CB 4.06Å; F212-H268 HydrophobicContact CD2-CB 4.35Å; F212-H268 AromaticContact CD2-CD2 3.26Å; F212-H268 WeakPolarHBondContact CD2-CD2 3.25Å; F212-H268 AromaticContact CD2-CG 3.89Å; F212-H268 AromaticContact CD2-NE2 3.89Å; F212-H268 HydrophobicContact CG-CB 3.94Å; F212-H268 AromaticContact CG-CD2 3.47Å; F212-H268 VanDerWaalsContact CG-CD2 3.47Å; F212-H268 WeakPolarHBondContact CG-CD2 3.08Å; F212-H268 AromaticContact CG-CG 3.62Å; W264-H268 AromaticContact CE3-NE2 3.8Å; W264-H268 PolarHBondContact O-CD2 2.87Å; W264-H268 PolarHBondContact O-N 3.42Å; A265-H268 PolarHBondContact O-N 2.82Å; H268-F272 WeakPolarHBondContact O-CB 3.4Å; H268-F272 PolarHBondContact O-N 3.43Å |
| 269 | F | 90.5 | Very high | 85.9 | Confident | 113 Ų | 113 | 40.2 Ų | 40.2 | 50% | 0.496 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.7 | -51.8 | 173.3 | 176.2 | -100.9 | 0 | 0 | 0 | 111.8 | A265 P266 Y267 F272 L273 | A265-F269 WeakPolarHBondContact O-CB 3.45Å; A265-F269 PolarHBondContact O-N 3.25Å; P266-F269 PolarHBondContact O-N 3.34Å; Y267-F269 VanDerWaalsContact C-N 3.33Å; Y267-F269 PolarHBondContact O-N 2.91Å; F269-F272 WeakPolarHBondContact O-CB 3.33Å; F269-F272 PolarHBondContact O-N 3.42Å; F269-L273 HydrophobicContact CD1-CD1 4.14Å; F269-L273 HydrophobicContact CE1-CD1 3.48Å; F269-L273 VanDerWaalsContact CE1-CD1 3.48Å; F269-L273 HydrophobicContact CE1-CG 4.27Å; F269-L273 HydrophobicContact CZ-CD1 3.73Å; F269-L273 HydrophobicContact CZ-CG 4.26Å; F269-L273 PolarHBondContact O-N 2.88Å |
| 270 | F | 91.1 | Very high | 86 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.5 | -35.1 | 179.3 | -77.2 | -73.4 | 0 | 0 | 0 | 113 | P266 Y267 F272 L273 E274 F290 G294 L295 A298 | P266-F270 VanDerWaalsContact O-CD2 3.27Å; P266-F270 WeakPolarHBondContact O-CD2 3.18Å; P266-F270 PolarHBondContact O-N 3.09Å; Y267-F270 PolarHBondContact O-N 3.28Å; F270-F272 PolarHBondContact O-N 2.88Å; F270-L273 HydrophobicContact CD1-CD1 4.1Å; F270-L273 HydrophobicContact CE1-CD1 4.29Å; F270-L273 PolarHBondContact O-N 2.76Å; F270-E274 WeakPolarHBondContact O-CB 3.38Å; F270-E274 PolarHBondContact O-N 3.49Å; F270-F290 HydrophobicContact CE1-CD1 4.17Å; F270-F290 AromaticContact CE1-CE1 3.71Å; F270-F290 HydrophobicContact CE1-CE1 3.71Å; F270-F290 HydrophobicContact CE1-CZ 4Å; F270-F290 HydrophobicContact CZ-CE1 4.32Å; F270-F290 HydrophobicContact CZ-CZ 4.18Å; F270-G294 WeakPolarHBondContact CD2-O 3.4Å; F270-G294 VanDerWaalsContact CE1-CA 3.46Å; F270-L295 HydrophobicContact CB-CB 4.42Å; F270-L295 HydrophobicContact CB-CD1 4.08Å; F270-A298 HydrophobicContact CD2-CB 3.81Å |
| 271 | A | 87.1 | Confident | 86.4 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -32.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y267 F275 | Y267-A271 VanDerWaalsContact O-CB 3.24Å; Y267-A271 WeakPolarHBondContact O-CB 3.28Å; Y267-A271 PolarHBondContact O-N 3Å; A271-F275 PolarHBondContact O-N 3.05Å |
| 272 | F | 88.1 | Confident | 86.6 | Confident | 91 Ų | 91 | 47.1 Ų | 47.1 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.3 | -40 | 172.7 | 179.9 | -104.7 | 0 | 0 | 0 | 112.1 | H268 F269 F270 F275 L276 | H268-F272 WeakPolarHBondContact O-CB 3.4Å; H268-F272 PolarHBondContact O-N 3.43Å; F269-F272 WeakPolarHBondContact O-CB 3.33Å; F269-F272 PolarHBondContact O-N 3.42Å; F270-F272 PolarHBondContact O-N 2.88Å; F272-F275 WeakPolarHBondContact O-CB 3.33Å; F272-F275 PolarHBondContact O-N 3.37Å; F272-L276 HydrophobicContact CD1-CD1 4.18Å; F272-L276 HydrophobicContact CE1-CD1 3.67Å; F272-L276 HydrophobicContact CE1-CG 4.12Å; F272-L276 HydrophobicContact CZ-CD1 4.2Å; F272-L276 HydrophobicContact CZ-CD2 4.22Å; F272-L276 HydrophobicContact CZ-CG 4.27Å; F272-L276 PolarHBondContact O-N 3.44Å; F272-L276 VanDerWaalsContact O-N 3.09Å |
| 273 | L | 89.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 174.2 | -67.5 | -178.4 | 0 | 0 | 0 | 112.4 | F269 F270 F275 L276 F277 F290 I291 | F269-L273 HydrophobicContact CD1-CD1 4.14Å; F269-L273 HydrophobicContact CE1-CD1 3.48Å; F269-L273 VanDerWaalsContact CE1-CD1 3.48Å; F269-L273 HydrophobicContact CE1-CG 4.27Å; F269-L273 HydrophobicContact CZ-CD1 3.73Å; F269-L273 HydrophobicContact CZ-CG 4.26Å; F269-L273 PolarHBondContact O-N 2.88Å; F270-L273 HydrophobicContact CD1-CD1 4.1Å; F270-L273 HydrophobicContact CE1-CD1 4.29Å; F270-L273 PolarHBondContact O-N 2.76Å; L273-F275 PolarHBondContact O-N 3.28Å; L273-L276 HydrophobicContact CD2-CD1 4.26Å; L273-L276 WeakPolarHBondContact O-CB 3.43Å; L273-L276 PolarHBondContact O-N 2.85Å; L273-F277 PolarHBondContact O-N 3.32Å; L273-F290 HydrophobicContact CD1-CE1 4.15Å; L273-I291 HydrophobicContact CB-CD1 4.04Å; L273-I291 HydrophobicContact CB-CG1 3.87Å |
| 274 | E | 86 | Confident | 86.5 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54 | -41.7 | 173.7 | -175.3 | -168.1 | -149.7 | 0 | 0 | 110.7 | R203 F270 F277 Q278 I291 | R203-E274 IonicContact CZ-OE2 2.78Å; R203-E274 VanDerWaalsContact CZ-OE2 3.24Å; R203-E274 IonicContact NH1-OE1 3.51Å; R203-E274 IonicContact NH1-OE2 3.89Å; R203-E274 PolarHBondContact NH1-OE2 3.25Å; R203-E274 IonicContact NH2-OE1 3.25Å; R203-E274 IonicContact NH2-OE2 3.77Å; R203-E274 PolarHBondContact NH2-OE2 3.02Å; F270-E274 WeakPolarHBondContact O-CB 3.38Å; F270-E274 PolarHBondContact O-N 3.49Å; E274-F277 WeakPolarHBondContact O-CB 3.25Å; E274-F277 PolarHBondContact O-N 3.44Å; E274-Q278 WeakPolarHBondContact O-CG 3.47Å; E274-Q278 PolarHBondContact O-N 3.42Å; E274-I291 HydrophobicContact CB-CG2 3.84Å; E274-I291 HydrophobicContact CG-CG2 4.39Å |
| 275 | F | 83.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 55.6 Ų | 55.6 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 173.7 | 166.4 | -109.8 | 0 | 0 | 0 | 112.9 | I204 A271 F272 L273 F277 Q278 V279 | I204-F275 HydrophobicContact CD1-CB 4.11Å; I204-F275 HydrophobicContact CD1-CD1 3.6Å; I204-F275 HydrophobicContact CD1-CD2 2.99Å; I204-F275 HydrophobicContact CD1-CE1 3.64Å; I204-F275 HydrophobicContact CD1-CE2 3.01Å; I204-F275 HydrophobicContact CD1-CG 3.25Å; I204-F275 HydrophobicContact CD1-CZ 3.34Å; I204-F275 HydrophobicContact CG1-CB 3.92Å; I204-F275 HydrophobicContact CG1-CD1 4.19Å; I204-F275 HydrophobicContact CG1-CD2 3.67Å; I204-F275 HydrophobicContact CG1-CE2 4.17Å; I204-F275 HydrophobicContact CG1-CG 3.62Å; A271-F275 PolarHBondContact O-N 3.05Å; F272-F275 WeakPolarHBondContact O-CB 3.33Å; F272-F275 PolarHBondContact O-N 3.37Å; L273-F275 PolarHBondContact O-N 3.28Å; F275-F277 PolarHBondContact O-N 3.3Å; F275-Q278 WeakPolarHBondContact O-CB 3.08Å; F275-Q278 PolarHBondContact O-N 3.06Å; F275-V279 HydrophobicContact CD2-CG1 3.9Å; F275-V279 HydrophobicContact CE1-CG1 4.41Å; F275-V279 HydrophobicContact CE1-CG2 4.18Å; F275-V279 HydrophobicContact CE2-CB 4.31Å; F275-V279 HydrophobicContact CE2-CG1 3.13Å; F275-V279 HydrophobicContact CE2-CG2 4.26Å; F275-V279 HydrophobicContact CZ-CB 4.36Å; F275-V279 HydrophobicContact CZ-CG1 3.47Å; F275-V279 VanDerWaalsContact CZ-CG1 3.47Å; F275-V279 HydrophobicContact CZ-CG2 4Å; F275-V279 WeakPolarHBondContact O-CG2 3.22Å; F275-V279 PolarHBondContact O-N 3.36Å |
| 276 | L | 86.6 | Confident | 86.3 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -34.4 | 178.4 | -68.7 | -179.6 | 0 | 0 | 0 | 111.9 | F272 L273 Q280 A281 V282 | F272-L276 HydrophobicContact CD1-CD1 4.18Å; F272-L276 HydrophobicContact CE1-CD1 3.67Å; F272-L276 HydrophobicContact CE1-CG 4.12Å; F272-L276 HydrophobicContact CZ-CD1 4.2Å; F272-L276 HydrophobicContact CZ-CD2 4.22Å; F272-L276 HydrophobicContact CZ-CG 4.27Å; F272-L276 PolarHBondContact O-N 3.44Å; F272-L276 VanDerWaalsContact O-N 3.09Å; L273-L276 HydrophobicContact CD2-CD1 4.26Å; L273-L276 WeakPolarHBondContact O-CB 3.43Å; L273-L276 PolarHBondContact O-N 2.85Å; L276-Q280 PolarHBondContact O-N 2.8Å; L276-A281 HydrophobicContact CB-CB 4.46Å; L276-A281 HydrophobicContact CD2-CB 4.32Å; L276-A281 WeakPolarHBondContact O-CB 3.17Å; L276-A281 PolarHBondContact O-N 3.46Å; L276-V282 HydrophobicContact CB-CG2 3.99Å; L276-V282 PolarHBondContact O-N 3.29Å |
| 277 | F | 85.7 | Confident | 86.1 | Confident | 61 Ų | 61 | 62 Ų | 62 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 173 | -174.5 | -97.7 | 0 | 0 | 0 | 111.8 | L273 E274 F275 V279 Q280 V282 W287 E288 I291 | L273-F277 PolarHBondContact O-N 3.32Å; E274-F277 WeakPolarHBondContact O-CB 3.25Å; E274-F277 PolarHBondContact O-N 3.44Å; F275-F277 PolarHBondContact O-N 3.3Å; F277-V279 PolarHBondContact O-N 2.78Å; F277-Q280 WeakPolarHBondContact O-CA 3.31Å; F277-Q280 PolarHBondContact O-N 3.17Å; F277-V282 HydrophobicContact CB-CG2 4.02Å; F277-V282 HydrophobicContact CD2-CG2 4.42Å; F277-W287 HydrophobicContact CD2-CB 4.31Å; F277-E288 HydrophobicContact CE1-CG 4.44Å; F277-E288 HydrophobicContact CE2-CB 4.01Å; F277-E288 HydrophobicContact CZ-CB 3.81Å; F277-E288 HydrophobicContact CZ-CG 3.97Å; F277-I291 HydrophobicContact CB-CD1 3.7Å; F277-I291 HydrophobicContact CD2-CD1 4.37Å; F277-I291 HydrophobicContact CG-CD1 4.21Å |
| 278 | Q | 80.8 | Confident | 85.8 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 177.7 | -74.6 | 178.6 | -9 | 0 | 0 | 113.2 | H200 E274 F275 Q280 | H200-Q278 PolarHBondContact ND1-OE1 3.31Å; E274-Q278 WeakPolarHBondContact O-CG 3.47Å; E274-Q278 PolarHBondContact O-N 3.42Å; F275-Q278 WeakPolarHBondContact O-CB 3.08Å; F275-Q278 PolarHBondContact O-N 3.06Å; Q278-Q280 PolarHBondContact O-N 3.37Å |
| 279 | V | 82.3 | Confident | 85.6 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 10.5 | 174.2 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | F275 F277 A281 | F275-V279 HydrophobicContact CD2-CG1 3.9Å; F275-V279 HydrophobicContact CE1-CG1 4.41Å; F275-V279 HydrophobicContact CE1-CG2 4.18Å; F275-V279 HydrophobicContact CE2-CB 4.31Å; F275-V279 HydrophobicContact CE2-CG1 3.13Å; F275-V279 HydrophobicContact CE2-CG2 4.26Å; F275-V279 HydrophobicContact CZ-CB 4.36Å; F275-V279 HydrophobicContact CZ-CG1 3.47Å; F275-V279 VanDerWaalsContact CZ-CG1 3.47Å; F275-V279 HydrophobicContact CZ-CG2 4Å; F275-V279 WeakPolarHBondContact O-CG2 3.22Å; F275-V279 PolarHBondContact O-N 3.36Å; F277-V279 PolarHBondContact O-N 2.78Å; V279-A281 HydrophobicContact CG2-CB 4.05Å; V279-A281 PolarHBondContact O-N 3.36Å; V279-A281 VanDerWaalsContact O-N 3.16Å |
| 280 | Q | 82.8 | Confident | 85.5 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 24.1 | 177.1 | -50.4 | -169.2 | -27.9 | 0 | 0 | 114.8 | L276 F277 Q278 R283 | L276-Q280 PolarHBondContact O-N 2.8Å; F277-Q280 WeakPolarHBondContact O-CA 3.31Å; F277-Q280 PolarHBondContact O-N 3.17Å; Q278-Q280 PolarHBondContact O-N 3.37Å; Q280-R283 PolarHBondContact O-NE 3.4Å; Q280-R283 VanDerWaalsContact O-NE 3.13Å |
| 281 | A | 84.3 | Confident | 85.5 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -76.2 | -28.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L276 V279 | L276-A281 HydrophobicContact CB-CB 4.46Å; L276-A281 HydrophobicContact CD2-CB 4.32Å; L276-A281 WeakPolarHBondContact O-CB 3.17Å; L276-A281 PolarHBondContact O-N 3.46Å; V279-A281 HydrophobicContact CG2-CB 4.05Å; V279-A281 PolarHBondContact O-N 3.36Å; V279-A281 VanDerWaalsContact O-N 3.16Å |
| 282 | V | 85.7 | Confident | 85.4 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -122.8 | 141.8 | 167.4 | -65.3 | 0 | 0 | 0 | 0 | 109.2 | L276 F277 W287 | L276-V282 HydrophobicContact CB-CG2 3.99Å; L276-V282 PolarHBondContact O-N 3.29Å; F277-V282 HydrophobicContact CB-CG2 4.02Å; F277-V282 HydrophobicContact CD2-CG2 4.42Å; V282-W287 HydrophobicContact CB-CD2 4.31Å; V282-W287 HydrophobicContact CB-CG 4.32Å |
| 283 | R | 85.2 | Confident | 85.3 | Confident | 172 Ų | 172 | 65.9 Ų | 65.9 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | trans | -143.9 | 152 | -174.7 | -58.8 | -178.2 | -173 | -168.2 | -7.9 | 111.1 | Q280 | Q280-R283 PolarHBondContact O-NE 3.4Å; Q280-R283 VanDerWaalsContact O-NE 3.13Å | ||
| 284 | G | 84.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 121.7 | 152.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | F286 W287 E288 | G284-F286 PolarHBondContact O-N 3.17Å; G284-W287 PolarHBondContact O-N 3.4Å; G284-E288 PolarHBondContact O-N 3.08Å |
| 285 | C | 84 | Confident | 85.4 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.2 | -37.6 | -174.8 | 69.7 | 0 | 0 | 0 | 0 | 112.5 | C26 W287 E288 D289 | C26-C285 HydrophobicContact CB-CB 4.14Å; C26-C285 WeakPolarHBondContact CB-SG 3.42Å; C26-C285 WeakPolarHBondContact SG-CB 3.23Å; C26-C285 CovalentContact SG-SG 2.08Å; C26-C285 PolarHBondContact SG-SG 3.44Å; C285-W287 VanDerWaalsContact C-N 3.32Å; C285-W287 PolarHBondContact O-N 3.33Å; C285-E288 PolarHBondContact O-N 2.97Å; C285-D289 PolarHBondContact O-N 3.49Å |
| 286 | F | 86.1 | Confident | 85.5 | Confident | 113 Ų | 113 | 64.1 Ų | 64.1 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 175.8 | 174.5 | -94.5 | 0 | 0 | 0 | 112.9 | G284 F290 | G284-F286 PolarHBondContact O-N 3.17Å; F286-F290 HydrophobicContact CE1-CB 4.38Å; F286-F290 HydrophobicContact CZ-CB 4.44Å; F286-F290 HydrophobicContact CZ-CD2 4.46Å; F286-F290 HydrophobicContact CZ-CG 4.47Å; F286-F290 WeakPolarHBondContact O-CB 3.42Å; F286-F290 PolarHBondContact O-N 2.95Å |
| 287 | W | 86.7 | Confident | 85.5 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 35% | 0.345 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | -178.3 | -74.6 | 104.7 | 0 | 0 | 0 | 111.7 | F277 V282 G284 C285 F290 I291 | F277-W287 HydrophobicContact CD2-CB 4.31Å; V282-W287 HydrophobicContact CB-CD2 4.31Å; V282-W287 HydrophobicContact CB-CG 4.32Å; G284-W287 PolarHBondContact O-N 3.4Å; C285-W287 VanDerWaalsContact C-N 3.32Å; C285-W287 PolarHBondContact O-N 3.33Å; W287-F290 HydrophobicContact CE3-CD1 4.44Å; W287-F290 HydrophobicContact CZ3-CD1 4.46Å; W287-I291 WeakPolarHBondContact O-CB 3.46Å; W287-I291 VanDerWaalsContact O-CD1 3.27Å; W287-I291 WeakPolarHBondContact O-CD1 3.45Å; W287-I291 WeakPolarHBondContact O-CG1 3.27Å; W287-I291 PolarHBondContact O-N 2.92Å |
| 288 | E | 84.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -56.3 | 175.2 | -171 | 169.4 | -168.3 | 0 | 0 | 110.6 | F277 G284 C285 F290 I291 D292 | F277-E288 HydrophobicContact CE1-CG 4.44Å; F277-E288 HydrophobicContact CE2-CB 4.01Å; F277-E288 HydrophobicContact CZ-CB 3.81Å; F277-E288 HydrophobicContact CZ-CG 3.97Å; G284-E288 PolarHBondContact O-N 3.08Å; C285-E288 PolarHBondContact O-N 2.97Å; E288-F290 PolarHBondContact O-N 3.34Å; E288-I291 PolarHBondContact O-N 2.87Å; E288-D292 WeakPolarHBondContact O-CB 3.49Å; E288-D292 PolarHBondContact O-N 2.89Å |
| 289 | D | 84.1 | Confident | 85.9 | Confident | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 178.6 | -74.5 | -30.8 | 0 | 0 | 0 | 112.4 | C285 L293 | C285-D289 PolarHBondContact O-N 3.49Å; D289-L293 WeakPolarHBondContact O-CB 3.45Å; D289-L293 PolarHBondContact O-N 3.33Å |
| 290 | F | 88.4 | Confident | 86 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 36% | 0.36 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | -179.5 | 179.8 | -103.9 | 0 | 0 | 0 | 112.3 | F270 L273 F286 W287 E288 G294 | F270-F290 HydrophobicContact CE1-CD1 4.17Å; F270-F290 AromaticContact CE1-CE1 3.71Å; F270-F290 HydrophobicContact CE1-CE1 3.71Å; F270-F290 HydrophobicContact CE1-CZ 4Å; F270-F290 HydrophobicContact CZ-CE1 4.32Å; F270-F290 HydrophobicContact CZ-CZ 4.18Å; L273-F290 HydrophobicContact CD1-CE1 4.15Å; F286-F290 HydrophobicContact CE1-CB 4.38Å; F286-F290 HydrophobicContact CZ-CB 4.44Å; F286-F290 HydrophobicContact CZ-CD2 4.46Å; F286-F290 HydrophobicContact CZ-CG 4.47Å; F286-F290 WeakPolarHBondContact O-CB 3.42Å; F286-F290 PolarHBondContact O-N 2.95Å; W287-F290 HydrophobicContact CE3-CD1 4.44Å; W287-F290 HydrophobicContact CZ3-CD1 4.46Å; E288-F290 PolarHBondContact O-N 3.34Å; F290-G294 WeakPolarHBondContact O-CA 3.33Å; F290-G294 PolarHBondContact O-N 2.87Å |
| 291 | I | 89.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 177.8 | -72 | 166.2 | 0 | 0 | 0 | 109.9 | L273 E274 F277 W287 E288 G294 L295 | L273-I291 HydrophobicContact CB-CD1 4.04Å; L273-I291 HydrophobicContact CB-CG1 3.87Å; E274-I291 HydrophobicContact CB-CG2 3.84Å; E274-I291 HydrophobicContact CG-CG2 4.39Å; F277-I291 HydrophobicContact CB-CD1 3.7Å; F277-I291 HydrophobicContact CD2-CD1 4.37Å; F277-I291 HydrophobicContact CG-CD1 4.21Å; W287-I291 WeakPolarHBondContact O-CB 3.46Å; W287-I291 VanDerWaalsContact O-CD1 3.27Å; W287-I291 WeakPolarHBondContact O-CD1 3.45Å; W287-I291 WeakPolarHBondContact O-CG1 3.27Å; W287-I291 PolarHBondContact O-N 2.92Å; E288-I291 PolarHBondContact O-N 2.87Å; I291-G294 PolarHBondContact O-N 3.05Å; I291-L295 VanDerWaalsContact O-CB 3.27Å; I291-L295 WeakPolarHBondContact O-CB 3.21Å; I291-L295 PolarHBondContact O-N 2.95Å |
| 292 | D | 85.7 | Confident | 86.5 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -49.6 | -177 | -79.2 | -8.9 | 0 | 0 | 0 | 111.4 | W33 E288 G294 L295 Q296 | W33-D292 HydrophobicContact CH2-CB 3.85Å; W33-D292 HydrophobicContact CZ2-CB 3.73Å; E288-D292 WeakPolarHBondContact O-CB 3.49Å; E288-D292 PolarHBondContact O-N 2.89Å; D292-G294 VanDerWaalsContact C-N 3.31Å; D292-G294 PolarHBondContact O-N 3.45Å; D292-L295 PolarHBondContact O-N 3.26Å; D292-Q296 WeakPolarHBondContact O-CG 3.27Å; D292-Q296 PolarHBondContact O-N 3.28Å; D292-Q296 VanDerWaalsContact O-N 3.11Å |
| 293 | L | 85.3 | Confident | 86.6 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 29% | 0.293 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175 | -175.9 | 69.9 | 0 | 0 | 0 | 111.1 | L36 D289 L295 Q296 L297 | L36-L293 HydrophobicContact CD1-CD1 3.53Å; D289-L293 WeakPolarHBondContact O-CB 3.45Å; D289-L293 PolarHBondContact O-N 3.33Å; L293-L295 VanDerWaalsContact C-N 3.35Å; L293-L295 PolarHBondContact O-N 2.91Å; L293-Q296 PolarHBondContact O-N 3.39Å; L293-L297 HydrophobicContact CG-CD1 4.42Å; L293-L297 WeakPolarHBondContact O-CG 3.13Å; L293-L297 PolarHBondContact O-N 3.3Å; L293-L297 VanDerWaalsContact O-N 3.07Å |
| 294 | G | 89.1 | Confident | 86.7 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F270 F290 I291 D292 L297 A298 | F270-G294 WeakPolarHBondContact CD2-O 3.4Å; F270-G294 VanDerWaalsContact CE1-CA 3.46Å; F290-G294 WeakPolarHBondContact O-CA 3.33Å; F290-G294 PolarHBondContact O-N 2.87Å; I291-G294 PolarHBondContact O-N 3.05Å; D292-G294 VanDerWaalsContact C-N 3.31Å; D292-G294 PolarHBondContact O-N 3.45Å; G294-L297 PolarHBondContact O-N 3.47Å; G294-A298 WeakPolarHBondContact O-CB 3.43Å; G294-A298 PolarHBondContact O-N 2.88Å |
| 295 | L | 87.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -38.5 | 178.3 | -168.3 | 67.1 | 0 | 0 | 0 | 111.4 | Y267 F270 I291 D292 L293 A298 N299 | Y267-L295 HydrophobicContact CD2-CD1 4.05Å; Y267-L295 HydrophobicContact CE2-CD1 3.92Å; F270-L295 HydrophobicContact CB-CB 4.42Å; F270-L295 HydrophobicContact CB-CD1 4.08Å; I291-L295 VanDerWaalsContact O-CB 3.27Å; I291-L295 WeakPolarHBondContact O-CB 3.21Å; I291-L295 PolarHBondContact O-N 2.95Å; D292-L295 PolarHBondContact O-N 3.26Å; L293-L295 VanDerWaalsContact C-N 3.35Å; L293-L295 PolarHBondContact O-N 2.91Å; L295-A298 PolarHBondContact O-N 3.41Å; L295-N299 WeakPolarHBondContact O-CB 3.23Å; L295-N299 VanDerWaalsContact O-CG 3.28Å; L295-N299 PolarHBondContact O-N 3.32Å; L295-N299 PolarHBondContact O-ND2 3.17Å |
| 296 | Q | 86.3 | Confident | 86.8 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 174.3 | -63.7 | -56.4 | -19.9 | 0 | 0 | 112 | W33 L36 L40 D292 L293 A298 N299 F300 | W33-Q296 HydrophobicContact CH2-CG 4.25Å; W33-Q296 HydrophobicContact CZ3-CG 4.05Å; L36-Q296 HydrophobicContact CD1-CB 3.69Å; L36-Q296 HydrophobicContact CD1-CG 4.29Å; L36-Q296 HydrophobicContact CD2-CB 4.09Å; L36-Q296 HydrophobicContact CD2-CG 4.14Å; L36-Q296 HydrophobicContact CG-CB 4.48Å; L40-Q296 HydrophobicContact CD2-CB 4.15Å; D292-Q296 WeakPolarHBondContact O-CG 3.27Å; D292-Q296 PolarHBondContact O-N 3.28Å; D292-Q296 VanDerWaalsContact O-N 3.11Å; L293-Q296 PolarHBondContact O-N 3.39Å; Q296-A298 VanDerWaalsContact C-N 3.32Å; Q296-A298 PolarHBondContact O-N 2.97Å; Q296-N299 PolarHBondContact O-N 2.84Å; Q296-F300 PolarHBondContact O-N 2.88Å |
| 297 | L | 85.6 | Confident | 86.7 | Confident | 90 Ų | 90 | 38.2 Ų | 38.2 | 47% | 0.471 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 175.6 | -68.5 | 175.3 | 0 | 0 | 0 | 112 | L293 G294 F300 F301 | L293-L297 HydrophobicContact CG-CD1 4.42Å; L293-L297 WeakPolarHBondContact O-CG 3.13Å; L293-L297 PolarHBondContact O-N 3.3Å; L293-L297 VanDerWaalsContact O-N 3.07Å; G294-L297 PolarHBondContact O-N 3.47Å; L297-F300 VanDerWaalsContact O-CB 3.25Å; L297-F300 WeakPolarHBondContact O-CB 3.27Å; L297-F300 PolarHBondContact O-N 2.97Å; L297-F301 VanDerWaalsContact O-CD2 3.23Å; L297-F301 WeakPolarHBondContact O-CD2 3.35Å; L297-F301 PolarHBondContact O-N 3.43Å |
| 298 | A | 89.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71 | -35.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | P266 F270 G294 L295 Q296 F300 F301 A302 | P266-A298 HydrophobicContact CB-CB 3.92Å; F270-A298 HydrophobicContact CD2-CB 3.81Å; G294-A298 WeakPolarHBondContact O-CB 3.43Å; G294-A298 PolarHBondContact O-N 2.88Å; L295-A298 PolarHBondContact O-N 3.41Å; Q296-A298 VanDerWaalsContact C-N 3.32Å; Q296-A298 PolarHBondContact O-N 2.97Å; A298-F300 PolarHBondContact O-N 3.33Å; A298-F301 PolarHBondContact O-N 3.01Å; A298-F301 VanDerWaalsContact O-N 3.17Å; A298-A302 PolarHBondContact O-N 3.3Å |
| 299 | N | 85.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -38.1 | 170.7 | -80.1 | -44.3 | 0 | 0 | 0 | 111.4 | Y267 L295 Q296 F301 A302 F303 | Y267-N299 VanDerWaalsContact CD2-OD1 3.31Å; Y267-N299 WeakPolarHBondContact CD2-OD1 3.46Å; Y267-N299 WeakPolarHBondContact CE2-OD1 3.42Å; L295-N299 WeakPolarHBondContact O-CB 3.23Å; L295-N299 VanDerWaalsContact O-CG 3.28Å; L295-N299 PolarHBondContact O-N 3.32Å; L295-N299 PolarHBondContact O-ND2 3.17Å; Q296-N299 PolarHBondContact O-N 2.84Å; N299-F301 PolarHBondContact O-N 3.44Å; N299-A302 PolarHBondContact O-N 3.38Å; N299-F303 HydrophobicContact CB-CE1 4.43Å; N299-F303 HydrophobicContact CB-CE2 4.19Å; N299-F303 HydrophobicContact CB-CZ 4.03Å; N299-F303 WeakPolarHBondContact O-CB 3.43Å; N299-F303 VanDerWaalsContact O-CD1 3.31Å; N299-F303 WeakPolarHBondContact O-CD1 3.28Å; N299-F303 WeakPolarHBondContact O-CD2 3.4Å; N299-F303 WeakPolarHBondContact O-CG 3.5Å; N299-F303 PolarHBondContact O-N 3.42Å |
| 300 | F | 84.8 | Confident | 85.6 | Confident | 49 Ų | 49 | 30.2 Ų | 30.2 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 174.1 | 155.5 | -72.7 | 0 | 0 | 0 | 112.5 | L40 F43 Q296 L297 A298 A302 F303 T304 | L40-F300 HydrophobicContact CD1-CB 3.89Å; L40-F300 HydrophobicContact CD1-CD2 4.25Å; F43-F300 HydrophobicContact CB-CD2 4.46Å; F43-F300 HydrophobicContact CB-CE2 4.35Å; F43-F300 AromaticContact CD1-CD2 3.08Å; F43-F300 HydrophobicContact CD1-CD2 3.08Å; F43-F300 AromaticContact CD1-CE2 3.02Å; F43-F300 HydrophobicContact CD1-CE2 3.02Å; F43-F300 HydrophobicContact CD1-CG 4.2Å; F43-F300 HydrophobicContact CD1-CZ 4.04Å; F43-F300 HydrophobicContact CD2-CD2 4.39Å; F43-F300 AromaticContact CD2-CE2 3.57Å; F43-F300 HydrophobicContact CD2-CE2 3.57Å; F43-F300 HydrophobicContact CD2-CZ 4.31Å; F43-F300 AromaticContact CE1-CD2 3.19Å; F43-F300 HydrophobicContact CE1-CD2 3.19Å; F43-F300 HydrophobicContact CE1-CE1 4.24Å; F43-F300 AromaticContact CE1-CE2 2.87Å; F43-F300 HydrophobicContact CE1-CE2 2.87Å; F43-F300 HydrophobicContact CE1-CG 4.03Å; F43-F300 AromaticContact CE1-CZ 3.42Å; F43-F300 HydrophobicContact CE1-CZ 3.42Å; F43-F300 VanDerWaalsContact CE1-CZ 3.42Å; F43-F300 HydrophobicContact CE2-CD2 4.47Å; F43-F300 AromaticContact CE2-CE2 3.44Å; F43-F300 HydrophobicContact CE2-CE2 3.44Å; F43-F300 VanDerWaalsContact CE2-CE2 3.44Å; F43-F300 AromaticContact CE2-CZ 3.74Å; F43-F300 HydrophobicContact CE2-CZ 3.74Å; F43-F300 AromaticContact CG-CD2 3.74Å; F43-F300 HydrophobicContact CG-CD2 3.74Å; F43-F300 AromaticContact CG-CE2 3.36Å; F43-F300 HydrophobicContact CG-CE2 3.36Å; F43-F300 HydrophobicContact CG-CZ 4.43Å; F43-F300 AromaticContact CZ-CD2 3.93Å; F43-F300 HydrophobicContact CZ-CD2 3.93Å; F43-F300 HydrophobicContact CZ-CE1 4.27Å; F43-F300 AromaticContact CZ-CE2 3.1Å; F43-F300 HydrophobicContact CZ-CE2 3.1Å; F43-F300 AromaticContact CZ-CZ 3.25Å; F43-F300 HydrophobicContact CZ-CZ 3.25Å; Q296-F300 PolarHBondContact O-N 2.88Å; L297-F300 VanDerWaalsContact O-CB 3.25Å; L297-F300 WeakPolarHBondContact O-CB 3.27Å; L297-F300 PolarHBondContact O-N 2.97Å; A298-F300 PolarHBondContact O-N 3.33Å; F300-A302 VanDerWaalsContact C-N 3.33Å; F300-F303 PolarHBondContact O-N 2.94Å; F300-T304 PolarHBondContact O-N 3.07Å; F300-T304 PolarHBondContact O-OG1 3.29Å |
| 301 | F | 88.3 | Confident | 84.8 | Confident | 82 Ų | 82 | 29.7 Ų | 29.7 | 36% | 0.36 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66 | -41.3 | 178.9 | -76.9 | -75.9 | 0 | 0 | 0 | 110.3 | V262 C263 P266 L297 A298 N299 F303 T304 | V262-F301 HydrophobicContact CG1-CD1 4.49Å; C263-F301 WeakPolarHBondContact CA-O 3.07Å; C263-F301 VanDerWaalsContact CB-O 3.27Å; C263-F301 WeakPolarHBondContact CB-O 3.42Å; C263-F301 CarbonylContact O-C 3.59Å; C263-F301 WeakPolarHBondContact O-CB 3.3Å; P266-F301 HydrophobicContact CG-CB 4.38Å; P266-F301 HydrophobicContact CG-CD2 4.44Å; P266-F301 HydrophobicContact CG-CG 4.42Å; L297-F301 VanDerWaalsContact O-CD2 3.23Å; L297-F301 WeakPolarHBondContact O-CD2 3.35Å; L297-F301 PolarHBondContact O-N 3.43Å; A298-F301 PolarHBondContact O-N 3.01Å; A298-F301 VanDerWaalsContact O-N 3.17Å; N299-F301 PolarHBondContact O-N 3.44Å; F301-F303 PolarHBondContact O-N 2.93Å; F301-T304 WeakPolarHBondContact O-CB 3.43Å; F301-T304 PolarHBondContact O-N 3.31Å |
| 302 | A | 88.1 | Confident | 83.9 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C263 W264 A298 N299 F300 T304 N305 | C263-A302 VanDerWaalsContact O-CA 3.28Å; C263-A302 WeakPolarHBondContact O-CA 3.46Å; C263-A302 PolarHBondContact O-N 3.47Å; W264-A302 HydrophobicContact CE3-CB 4.15Å; W264-A302 HydrophobicContact CH2-CB 4.44Å; W264-A302 HydrophobicContact CZ3-CB 4.01Å; A298-A302 PolarHBondContact O-N 3.3Å; N299-A302 PolarHBondContact O-N 3.38Å; F300-A302 VanDerWaalsContact C-N 3.33Å; A302-T304 VanDerWaalsContact C-N 3.28Å; A302-T304 PolarHBondContact O-N 2.95Å; A302-N305 WeakPolarHBondContact O-CB 3.38Å; A302-N305 PolarHBondContact O-N 2.98Å |
| 303 | F | 88.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 6% | 0.057 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -32.7 | 179.9 | -61.7 | -14.5 | 0 | 0 | 0 | 112.6 | I44 I47 F87 L91 N299 F300 F301 N305 S306 | I44-F303 HydrophobicContact CD1-CE2 4.29Å; I44-F303 HydrophobicContact CG1-CD2 4.14Å; I44-F303 HydrophobicContact CG1-CE2 4.4Å; I47-F303 HydrophobicContact CD1-CB 3.73Å; I47-F303 WeakPolarHBondContact CG2-O 3.48Å; F87-F303 HydrophobicContact CE1-CB 4.48Å; F87-F303 AromaticContact CE2-CD1 3.94Å; F87-F303 HydrophobicContact CE2-CD1 3.94Å; F87-F303 HydrophobicContact CE2-CE1 4.21Å; F87-F303 HydrophobicContact CZ-CB 3.99Å; F87-F303 AromaticContact CZ-CD1 3.48Å; F87-F303 HydrophobicContact CZ-CD1 3.48Å; F87-F303 VanDerWaalsContact CZ-CD1 3.48Å; F87-F303 HydrophobicContact CZ-CE1 4.18Å; F87-F303 AromaticContact CZ-CG 3.89Å; F87-F303 HydrophobicContact CZ-CG 3.89Å; L91-F303 HydrophobicContact CD2-CB 4.44Å; L91-F303 HydrophobicContact CD2-CD1 4.36Å; L91-F303 HydrophobicContact CD2-CD2 3.84Å; L91-F303 HydrophobicContact CD2-CE2 4.1Å; L91-F303 HydrophobicContact CD2-CG 3.97Å; L91-F303 HydrophobicContact CD2-CZ 4.46Å; N299-F303 HydrophobicContact CB-CE1 4.43Å; N299-F303 HydrophobicContact CB-CE2 4.19Å; N299-F303 HydrophobicContact CB-CZ 4.03Å; N299-F303 WeakPolarHBondContact O-CB 3.43Å; N299-F303 VanDerWaalsContact O-CD1 3.31Å; N299-F303 WeakPolarHBondContact O-CD1 3.28Å; N299-F303 WeakPolarHBondContact O-CD2 3.4Å; N299-F303 WeakPolarHBondContact O-CG 3.5Å; N299-F303 PolarHBondContact O-N 3.42Å; F300-F303 PolarHBondContact O-N 2.94Å; F301-F303 PolarHBondContact O-N 2.93Å; F303-N305 PolarHBondContact O-N 3.11Å; F303-S306 PolarHBondContact O-N 3.19Å |
| 304 | T | 88 | Confident | 81.9 | Confident | 28 Ų | 28 | 26.7 Ų | 26.7 | 17% | 0.172 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -27 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | F300 F301 A302 S306 S307 L308 | F300-T304 PolarHBondContact O-N 3.07Å; F300-T304 PolarHBondContact O-OG1 3.29Å; F301-T304 WeakPolarHBondContact O-CB 3.43Å; F301-T304 PolarHBondContact O-N 3.31Å; A302-T304 VanDerWaalsContact C-N 3.28Å; A302-T304 PolarHBondContact O-N 2.95Å; T304-S306 VanDerWaalsContact C-N 3.28Å; T304-S306 PolarHBondContact O-N 2.99Å; T304-S307 PolarHBondContact O-N 3.27Å; T304-S307 VanDerWaalsContact O-N 3.09Å; T304-L308 HydrophobicContact CG2-CD1 3.79Å; T304-L308 HydrophobicContact CG2-CG 3.85Å; T304-L308 WeakPolarHBondContact O-CG 3.37Å; T304-L308 PolarHBondContact O-N 2.86Å |
| 305 | N | 85.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.4 | -44.9 | 177.5 | -173.4 | 66.6 | 0 | 0 | 0 | 112.7 | C263 W264 A302 F303 S307 L308 N309 | C263-N305 HydrophobicContact CB-CB 3.75Å; W264-N305 HydrophobicContact CZ2-CB 4.49Å; W264-N305 PolarHBondContact NE1-ND2 3.33Å; W264-N305 PolarHBondContact NE1-OD1 3.27Å; A302-N305 WeakPolarHBondContact O-CB 3.38Å; A302-N305 PolarHBondContact O-N 2.98Å; F303-N305 PolarHBondContact O-N 3.11Å; N305-S307 PolarHBondContact O-N 3.33Å; N305-L308 PolarHBondContact O-N 3.36Å; N305-N309 PolarHBondContact O-N 2.8Å; N305-N309 PolarHBondContact O-ND2 3.46Å; N305-N309 PolarHBondContact O-OD1 3.01Å |
| 306 | S | 84.1 | Confident | 79 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -26.1 | -176.8 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | N55 F87 F303 T304 | N55-S306 PolarHBondContact ND2-O 3.3Å; F87-S306 WeakPolarHBondContact CD1-OG 3.43Å; F87-S306 VanDerWaalsContact CE1-OG 3.3Å; F87-S306 WeakPolarHBondContact CE1-OG 3.42Å; F303-S306 PolarHBondContact O-N 3.19Å; T304-S306 VanDerWaalsContact C-N 3.28Å; T304-S306 PolarHBondContact O-N 2.99Å |
| 307 | S | 84.1 | Confident | 77.6 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -91.7 | -27 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | I47 G51 T304 N305 | I47-S307 WeakPolarHBondContact CG2-OG 3.39Å; I47-S307 PolarHBondContact O-OG 2.93Å; G51-S307 VanDerWaalsContact CA-OG 3.23Å; G51-S307 WeakPolarHBondContact CA-OG 3.49Å; G51-S307 PolarHBondContact N-OG 2.89Å; T304-S307 PolarHBondContact O-N 3.27Å; T304-S307 VanDerWaalsContact O-N 3.09Å; N305-S307 PolarHBondContact O-N 3.33Å |
| 308 | L | 81.8 | Confident | 76.2 | Confident | 58 Ų | 58 | 34.8 Ų | 34.8 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -72.8 | -29 | 175.8 | -73.7 | 176.5 | 0 | 0 | 0 | 112.9 | T304 N305 V311 I312 | T304-L308 HydrophobicContact CG2-CD1 3.79Å; T304-L308 HydrophobicContact CG2-CG 3.85Å; T304-L308 WeakPolarHBondContact O-CG 3.37Å; T304-L308 PolarHBondContact O-N 2.86Å; N305-L308 PolarHBondContact O-N 3.36Å; L308-V311 WeakPolarHBondContact O-CB 3.46Å; L308-V311 PolarHBondContact O-N 3.32Å; L308-V311 VanDerWaalsContact O-N 3.07Å; L308-I312 HydrophobicContact CB-CD1 4.06Å; L308-I312 WeakPolarHBondContact O-CG1 3.39Å; L308-I312 PolarHBondContact O-N 3.24Å |
| 309 | N | 77.4 | Confident | 74.7 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -49.1 | -60.5 | -177.8 | -75.1 | -27 | 0 | 0 | 0 | 112.2 | L80 D84 N305 V311 I312 Y313 | L80-N309 HydrophobicContact CD2-CB 4.11Å; D84-N309 PolarHBondContact OD2-ND2 3.03Å; N305-N309 PolarHBondContact O-N 2.8Å; N305-N309 PolarHBondContact O-ND2 3.46Å; N305-N309 PolarHBondContact O-OD1 3.01Å; N309-V311 VanDerWaalsContact C-N 3.32Å; N309-V311 PolarHBondContact O-N 2.86Å; N309-I312 PolarHBondContact O-N 3.39Å; N309-Y313 HydrophobicContact CB-CE2 4.41Å; N309-Y313 WeakPolarHBondContact O-CD2 3.25Å; N309-Y313 PolarHBondContact O-N 2.92Å; N309-Y313 VanDerWaalsContact O-N 3.15Å |
| 310 | P | 73.9 | Confident | 73.3 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.045 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.1 | -41.8 | 175.3 | -28 | 34.6 | 0 | 0 | 0 | 114.7 | G54 N55 V58 Y313 V314 | G54-P310 VanDerWaalsContact C-CG 3.47Å; N55-P310 VanDerWaalsContact OD1-CG 3.27Å; N55-P310 WeakPolarHBondContact OD1-CG 3.39Å; V58-P310 HydrophobicContact CG2-CB 3.87Å; V58-P310 HydrophobicContact CG2-CG 4.14Å; P310-Y313 PolarHBondContact O-N 2.96Å; P310-V314 WeakPolarHBondContact O-CB 3.29Å; P310-V314 WeakPolarHBondContact O-CG2 3.49Å; P310-V314 PolarHBondContact O-N 3.19Å |
| 311 | V | 70.4 | Confident | 72.2 | Confident | 70 Ų | 70 | 40.3 Ų | 40.3 | 42% | 0.424 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62 | -49.3 | -179 | 178 | 0 | 0 | 0 | 0 | 110 | L308 N309 Y313 V314 F315 | L308-V311 WeakPolarHBondContact O-CB 3.46Å; L308-V311 PolarHBondContact O-N 3.32Å; L308-V311 VanDerWaalsContact O-N 3.07Å; N309-V311 VanDerWaalsContact C-N 3.32Å; N309-V311 PolarHBondContact O-N 2.86Å; V311-Y313 VanDerWaalsContact C-N 3.31Å; V311-Y313 PolarHBondContact O-N 3.32Å; V311-V314 PolarHBondContact O-N 3.31Å; V311-F315 HydrophobicContact CB-CD2 4.39Å; V311-F315 HydrophobicContact CG1-CD2 3.6Å; V311-F315 HydrophobicContact CG1-CE2 4.02Å; V311-F315 WeakPolarHBondContact O-CB 3.44Å; V311-F315 VanDerWaalsContact O-CD2 3.3Å; V311-F315 WeakPolarHBondContact O-CD2 3.18Å; V311-F315 PolarHBondContact O-N 3.01Å |
| 312 | I | 70.8 | Confident | 71 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -61.6 | -42.2 | -179.6 | -61.3 | 162.8 | 0 | 0 | 0 | 110.4 | L252 T255 L256 A259 L308 N309 V316 | L252-I312 HydrophobicContact CD1-CG2 4.13Å; T255-I312 HydrophobicContact CG2-CG2 4.11Å; L256-I312 HydrophobicContact CD2-CB 4.16Å; L256-I312 HydrophobicContact CD2-CD1 4.32Å; L256-I312 HydrophobicContact CD2-CG2 3.41Å; L256-I312 VanDerWaalsContact CD2-CG2 3.41Å; L256-I312 HydrophobicContact CG-CG2 3.8Å; A259-I312 HydrophobicContact CB-CD1 3.41Å; A259-I312 VanDerWaalsContact CB-CD1 3.41Å; L308-I312 HydrophobicContact CB-CD1 4.06Å; L308-I312 WeakPolarHBondContact O-CG1 3.39Å; L308-I312 PolarHBondContact O-N 3.24Å; N309-I312 PolarHBondContact O-N 3.39Å; I312-V316 HydrophobicContact CG2-CG2 4.32Å; I312-V316 WeakPolarHBondContact O-CA 3.28Å; I312-V316 WeakPolarHBondContact O-CB 3.39Å; I312-V316 WeakPolarHBondContact O-CG2 3.14Å; I312-V316 PolarHBondContact O-N 2.78Å |
| 313 | Y | 66.4 | Low | 69.8 | Low | 17 Ų | 17 | 40.3 Ų | 40.3 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -72.5 | -34.7 | -180 | -67 | -64.3 | 0 | 0 | 0 | 114 | L77 L80 I132 L256 N309 P310 V311 G317 | L77-Y313 HydrophobicContact CD1-CD1 4.19Å; L77-Y313 HydrophobicContact CD1-CG 4.26Å; L77-Y313 HydrophobicContact CD2-CD1 3.74Å; L77-Y313 HydrophobicContact CD2-CD2 3.28Å; L77-Y313 HydrophobicContact CD2-CE1 3.63Å; L77-Y313 HydrophobicContact CD2-CE2 3.22Å; L77-Y313 HydrophobicContact CD2-CG 3.59Å; L80-Y313 HydrophobicContact CD2-CE2 3.9Å; I132-Y313 WeakPolarHBondContact CD1-OH 3.5Å; L256-Y313 HydrophobicContact CD1-CE1 3.94Å; L256-Y313 HydrophobicContact CD2-CE1 4.03Å; L256-Y313 HydrophobicContact CD2-CE2 4.35Å; N309-Y313 HydrophobicContact CB-CE2 4.41Å; N309-Y313 WeakPolarHBondContact O-CD2 3.25Å; N309-Y313 PolarHBondContact O-N 2.92Å; N309-Y313 VanDerWaalsContact O-N 3.15Å; P310-Y313 PolarHBondContact O-N 2.96Å; V311-Y313 VanDerWaalsContact C-N 3.31Å; V311-Y313 PolarHBondContact O-N 3.32Å; Y313-G317 WeakPolarHBondContact O-CA 3.47Å; Y313-G317 PolarHBondContact O-N 3.24Å |
| 314 | V | 63.6 | Low | 68.8 | Low | 32 Ų | 32 | 42.2 Ų | 42.2 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -75 | -48.5 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | F57 P310 V311 F320 R321 | F57-V314 HydrophobicContact CE1-CG2 4.42Å; P310-V314 WeakPolarHBondContact O-CB 3.29Å; P310-V314 WeakPolarHBondContact O-CG2 3.49Å; P310-V314 PolarHBondContact O-N 3.19Å; V311-V314 PolarHBondContact O-N 3.31Å; V314-F320 HydrophobicContact CG2-CB 4.21Å; V314-F320 HydrophobicContact CG2-CD1 3.89Å; V314-F320 HydrophobicContact CG2-CG 4.27Å; V314-R321 WeakPolarHBondContact O-CG 3.2Å |
| 315 | F | 59.2 | Low | 67.8 | Low | 122 Ų | 122 | 47.2 Ų | 47.2 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -80 | -36.2 | -176 | -72.7 | -79 | 0 | 0 | 0 | 111.9 | V311 R321 | V311-F315 HydrophobicContact CB-CD2 4.39Å; V311-F315 HydrophobicContact CG1-CD2 3.6Å; V311-F315 HydrophobicContact CG1-CE2 4.02Å; V311-F315 WeakPolarHBondContact O-CB 3.44Å; V311-F315 VanDerWaalsContact O-CD2 3.3Å; V311-F315 WeakPolarHBondContact O-CD2 3.18Å; V311-F315 PolarHBondContact O-N 3.01Å; F315-R321 VanDerWaalsContact O-CZ 3.25Å; F315-R321 PolarHBondContact O-NE 3.13Å; F315-R321 VanDerWaalsContact O-NE 3.17Å; F315-R321 PolarHBondContact O-NH2 3.26Å |
| 316 | V | 56.1 | Low | 67 | Low | 48 Ų | 48 | 50.7 Ų | 50.7 | 29% | 0.291 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -103.1 | -21.9 | -173.9 | -156.6 | 0 | 0 | 0 | 0 | 111.8 | L252 T255 I312 | L252-V316 HydrophobicContact CB-CB 4.4Å; L252-V316 HydrophobicContact CB-CG1 3.73Å; L252-V316 HydrophobicContact CD1-CB 3.54Å; L252-V316 HydrophobicContact CD1-CG1 3.83Å; L252-V316 HydrophobicContact CG-CG1 4.38Å; T255-V316 HydrophobicContact CG2-CG2 4.32Å; I312-V316 HydrophobicContact CG2-CG2 4.32Å; I312-V316 WeakPolarHBondContact O-CA 3.28Å; I312-V316 WeakPolarHBondContact O-CB 3.39Å; I312-V316 WeakPolarHBondContact O-CG2 3.14Å; I312-V316 PolarHBondContact O-N 2.78Å |
| 317 | G | 58.6 | Low | 66.2 | Low | 6 Ų | 6 | 52.9 Ų | 52.9 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | trans | -86.3 | 118.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y313 L319 F320 | Y313-G317 WeakPolarHBondContact O-CA 3.47Å; Y313-G317 PolarHBondContact O-N 3.24Å; G317-L319 PolarHBondContact O-N 2.85Å; G317-L319 VanDerWaalsContact O-N 3.17Å; G317-F320 PolarHBondContact O-N 3.27Å | ||
| 318 | R | 55.8 | Low | 65.7 | Low | 134 Ų | 134 | 58.2 Ų | 58.2 | 51% | 0.506 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.4 | -30.9 | 172.2 | -82 | -172.1 | -178.2 | -152.4 | 5.2 | 113.5 | T322 | R318-T322 PolarHBondContact O-N 3.36Å; R318-T322 PolarHBondContact O-OG1 3.3Å |
| 319 | L | 57.1 | Low | 65.1 | Low | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | -175.8 | -172.9 | 73.1 | 0 | 0 | 0 | 112.4 | A73 E74 G317 K323 | A73-L319 HydrophobicContact CB-CD2 4.23Å; E74-L319 HydrophobicContact CG-CD2 4Å; G317-L319 PolarHBondContact O-N 2.85Å; G317-L319 VanDerWaalsContact O-N 3.17Å; L319-K323 WeakPolarHBondContact O-CG 3.12Å; L319-K323 PolarHBondContact O-N 2.91Å |
| 320 | F | 57.9 | Low | 64.6 | Low | 3 Ų | 3 | 67.1 Ų | 67.1 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.3 | -40.2 | -178.4 | -89.5 | -103.5 | 0 | 0 | 0 | 111.6 | V58 L61 L77 V314 G317 T322 K323 V324 | V58-F320 HydrophobicContact CB-CE1 4.47Å; V58-F320 HydrophobicContact CG1-CE1 4.19Å; V58-F320 HydrophobicContact CG1-CZ 4.07Å; V58-F320 HydrophobicContact CG2-CE1 4Å; L61-F320 HydrophobicContact CD2-CD1 3.3Å; L61-F320 HydrophobicContact CD2-CE1 3.29Å; L61-F320 HydrophobicContact CD2-CG 4.27Å; L61-F320 HydrophobicContact CD2-CZ 4.2Å; L77-F320 HydrophobicContact CD1-CD2 4.35Å; L77-F320 HydrophobicContact CD1-CE2 3.37Å; L77-F320 HydrophobicContact CD1-CZ 3.97Å; V314-F320 HydrophobicContact CG2-CB 4.21Å; V314-F320 HydrophobicContact CG2-CD1 3.89Å; V314-F320 HydrophobicContact CG2-CG 4.27Å; G317-F320 PolarHBondContact O-N 3.27Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 PolarHBondContact O-N 3.48Å; F320-K323 WeakPolarHBondContact O-CB 3.29Å; F320-K323 PolarHBondContact O-N 3.09Å; F320-V324 WeakPolarHBondContact O-CG2 3.41Å; F320-V324 PolarHBondContact O-N 3.29Å |
| 321 | R | 61.5 | Low | 64.2 | Low | 115 Ų | 115 | 71.7 Ų | 71.7 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.1 | -42.3 | 176.3 | -65.1 | -174.6 | -179.3 | -163.1 | -0.2 | 112.4 | V314 F315 W325 | V314-R321 WeakPolarHBondContact O-CG 3.2Å; F315-R321 VanDerWaalsContact O-CZ 3.25Å; F315-R321 PolarHBondContact O-NE 3.13Å; F315-R321 VanDerWaalsContact O-NE 3.17Å; F315-R321 PolarHBondContact O-NH2 3.26Å; R321-W325 WeakPolarHBondContact O-CB 3.06Å; R321-W325 PolarHBondContact O-N 3.06Å; R321-W325 VanDerWaalsContact O-N 3.17Å |
| 322 | T | 62.2 | Low | 64 | Low | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 176.3 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | R318 F320 W325 E326 | R318-T322 PolarHBondContact O-N 3.36Å; R318-T322 PolarHBondContact O-OG1 3.3Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 PolarHBondContact O-N 3.48Å; T322-W325 WeakPolarHBondContact O-CB 3.2Å; T322-W325 PolarHBondContact O-N 3.39Å; T322-E326 WeakPolarHBondContact O-CG 3.49Å; T322-E326 PolarHBondContact O-N 2.08Å |
| 323 | K | 63.2 | Low | 63 | Low | 7 Ų | 7 | 75.2 Ų | 75.2 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74.1 | -41.1 | 180 | -70.1 | -179.1 | 170.4 | -168 | 0 | 114 | L61 E74 L319 F320 W325 E326 L327 | L61-K323 HydrophobicContact CD1-CB 4.02Å; L61-K323 HydrophobicContact CD2-CB 3.86Å; L61-K323 HydrophobicContact CD2-CD 3.74Å; L61-K323 HydrophobicContact CG-CB 4.22Å; L61-K323 HydrophobicContact CG-CD 4.1Å; E74-K323 WeakPolarHBondContact OE1-CE 3.4Å; E74-K323 IonicContact OE1-NZ 2.65Å; E74-K323 PolarHBondContact OE1-NZ 2.93Å; E74-K323 IonicContact OE2-NZ 3.98Å; L319-K323 WeakPolarHBondContact O-CG 3.12Å; L319-K323 PolarHBondContact O-N 2.91Å; F320-K323 WeakPolarHBondContact O-CB 3.29Å; F320-K323 PolarHBondContact O-N 3.09Å; K323-W325 PolarHBondContact O-N 2.83Å; K323-E326 WeakPolarHBondContact O-CB 3.35Å; K323-E326 PolarHBondContact O-N 3.21Å; K323-E326 VanDerWaalsContact O-N 3.16Å; K323-L327 PolarHBondContact O-N 3.4Å |
| 324 | V | 66.2 | Low | 62.4 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 173.7 | 175.3 | 0 | 0 | 0 | 0 | 109.5 | F57 F320 L327 Y328 | F57-V324 HydrophobicContact CE1-CG2 4.11Å; F57-V324 HydrophobicContact CZ-CG2 3.87Å; F320-V324 WeakPolarHBondContact O-CG2 3.41Å; F320-V324 PolarHBondContact O-N 3.29Å; V324-L327 PolarHBondContact O-N 3.12Å; V324-Y328 WeakPolarHBondContact O-CB 3.15Å; V324-Y328 PolarHBondContact O-N 2.89Å |
| 325 | W | 68.2 | Low | 61.5 | Low | 132 Ų | 132 | 88.1 Ų | 88.1 | 50% | 0.5 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 174.4 | -177.4 | -117.2 | 0 | 0 | 0 | 113.7 | R321 T322 K323 Y328 K329 | R321-W325 WeakPolarHBondContact O-CB 3.06Å; R321-W325 PolarHBondContact O-N 3.06Å; R321-W325 VanDerWaalsContact O-N 3.17Å; T322-W325 WeakPolarHBondContact O-CB 3.2Å; T322-W325 PolarHBondContact O-N 3.39Å; K323-W325 PolarHBondContact O-N 2.83Å; W325-Y328 AromaticContact CE3-CD1 3.9Å; W325-Y328 HydrophobicContact CE3-CD1 3.9Å; W325-Y328 HydrophobicContact CH2-CD1 4.45Å; W325-Y328 AromaticContact CZ3-CD1 3.66Å; W325-Y328 HydrophobicContact CZ3-CD1 3.66Å; W325-Y328 AromaticContact CZ3-CE1 3.95Å; W325-Y328 HydrophobicContact CZ3-CE1 3.95Å; W325-Y328 PolarHBondContact O-N 3.04Å; W325-K329 HydrophobicContact CZ2-CD 4.49Å; W325-K329 WeakPolarHBondContact O-CB 3.31Å; W325-K329 WeakPolarHBondContact O-CG 3.48Å; W325-K329 PolarHBondContact O-N 3.09Å |
| 326 | E | 68.3 | Low | 60.9 | Low | 79 Ų | 79 | 90 Ų | 90 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 173.2 | -76.3 | 173 | -167.3 | 0 | 0 | 111.9 | R67 T322 K323 K329 Q330 | R67-E326 IonicContact CZ-OE2 3.92Å; R67-E326 IonicContact NH2-OE2 2.72Å; R67-E326 PolarHBondContact NH2-OE2 2.76Å; T322-E326 WeakPolarHBondContact O-CG 3.49Å; T322-E326 PolarHBondContact O-N 2.08Å; K323-E326 WeakPolarHBondContact O-CB 3.35Å; K323-E326 PolarHBondContact O-N 3.21Å; K323-E326 VanDerWaalsContact O-N 3.16Å; E326-K329 PolarHBondContact O-N 3.28Å; E326-Q330 WeakPolarHBondContact O-CG 3.09Å; E326-Q330 PolarHBondContact O-N 3.32Å |
| 327 | L | 67.5 | Low | 60.4 | Low | 47 Ų | 47 | 91.7 Ų | 91.7 | 25% | 0.246 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.6 | -47 | 174.1 | -79.8 | -175.7 | 0 | 0 | 0 | 112.3 | L61 L65 K323 V324 K329 Q330 C331 | L61-L327 HydrophobicContact CD1-CD1 3.26Å; L61-L327 HydrophobicContact CD1-CG 3.97Å; L65-L327 HydrophobicContact CD1-CD1 4.38Å; L65-L327 HydrophobicContact CD1-CD2 4.13Å; L65-L327 HydrophobicContact CD1-CG 4.01Å; L65-L327 HydrophobicContact CD2-CD2 3.57Å; L65-L327 HydrophobicContact CD2-CG 4.18Å; L65-L327 HydrophobicContact CG-CD2 3.85Å; L65-L327 HydrophobicContact CG-CG 4.29Å; K323-L327 PolarHBondContact O-N 3.4Å; V324-L327 PolarHBondContact O-N 3.12Å; L327-K329 PolarHBondContact O-N 2.81Å; L327-Q330 PolarHBondContact O-N 2.87Å; L327-C331 WeakPolarHBondContact O-CB 3.1Å; L327-C331 PolarHBondContact O-N 2.95Å; L327-C331 PolarHBondContact O-SG 3.41Å; L327-C331 VanDerWaalsContact O-SG 3.37Å |
| 328 | Y | 73.2 | Confident | 59.9 | Low | 125 Ų | 125 | 97 Ų | 97 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.2 | -42.1 | 177.7 | 177.2 | -100.2 | 0 | 0 | 0 | 111.3 | V324 W325 C331 T332 | V324-Y328 WeakPolarHBondContact O-CB 3.15Å; V324-Y328 PolarHBondContact O-N 2.89Å; W325-Y328 AromaticContact CE3-CD1 3.9Å; W325-Y328 HydrophobicContact CE3-CD1 3.9Å; W325-Y328 HydrophobicContact CH2-CD1 4.45Å; W325-Y328 AromaticContact CZ3-CD1 3.66Å; W325-Y328 HydrophobicContact CZ3-CD1 3.66Å; W325-Y328 AromaticContact CZ3-CE1 3.95Å; W325-Y328 HydrophobicContact CZ3-CE1 3.95Å; W325-Y328 PolarHBondContact O-N 3.04Å; Y328-C331 PolarHBondContact O-N 3.27Å; Y328-T332 HydrophobicContact CE1-CG2 4.15Å; Y328-T332 HydrophobicContact CE2-CG2 4.24Å; Y328-T332 PolarHBondContact O-N 3.17Å; Y328-T332 PolarHBondContact O-OG1 3.24Å |
| 329 | K | 69.7 | Low | 59.2 | Low | 123 Ų | 123 | 97.8 Ų | 97.8 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 175 | -79.6 | 179 | 163.7 | 179.4 | 0 | 114.4 | W325 E326 L327 T332 | W325-K329 HydrophobicContact CZ2-CD 4.49Å; W325-K329 WeakPolarHBondContact O-CB 3.31Å; W325-K329 WeakPolarHBondContact O-CG 3.48Å; W325-K329 PolarHBondContact O-N 3.09Å; E326-K329 PolarHBondContact O-N 3.28Å; L327-K329 PolarHBondContact O-N 2.81Å; K329-T332 WeakPolarHBondContact CA-OG1 3.23Å; K329-T332 PolarHBondContact O-OG1 2.79Å |
| 330 | Q | 67.7 | Low | 58.7 | Low | 128 Ų | 128 | 97.9 Ų | 97.9 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -77.5 | -33.6 | 176.1 | -75.4 | 174.2 | -3.4 | 0 | 0 | 111.8 | E326 L327 | E326-Q330 WeakPolarHBondContact O-CG 3.09Å; E326-Q330 PolarHBondContact O-N 3.32Å; L327-Q330 PolarHBondContact O-N 2.87Å |
| 331 | C | 65.6 | Low | 58.3 | Low | 103 Ų | 103 | 102.5 Ų | 102.5 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -84.7 | -13.9 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | L327 Y328 P333 | L327-C331 WeakPolarHBondContact O-CB 3.1Å; L327-C331 PolarHBondContact O-N 2.95Å; L327-C331 PolarHBondContact O-SG 3.41Å; L327-C331 VanDerWaalsContact O-SG 3.37Å; Y328-C331 PolarHBondContact O-N 3.27Å; C331-P333 WeakPolarHBondContact O-CD 3.35Å |
| 332 | T | 64.8 | Low | 57.5 | Low | 56 Ų | 56 | 100.6 Ų | 100.6 | 34% | 0.344 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -81.6 | 119.2 | 173 | 21.5 | 0 | 0 | 0 | 0 | 110.3 | Y328 K329 K334 | Y328-T332 HydrophobicContact CE1-CG2 4.15Å; Y328-T332 HydrophobicContact CE2-CG2 4.24Å; Y328-T332 PolarHBondContact O-N 3.17Å; Y328-T332 PolarHBondContact O-OG1 3.24Å; K329-T332 WeakPolarHBondContact CA-OG1 3.23Å; K329-T332 PolarHBondContact O-OG1 2.79Å; T332-K334 PolarHBondContact O-N 3.22Å |
| 333 | P | 49.5 | Very low | 56.5 | Low | 100 Ų | 100 | 102.3 Ų | 102.3 | 65% | 0.649 | 56% | 0.561 | S | S | * | * | trans | -62.5 | 136.1 | 175.6 | -15.3 | 27.4 | 0 | 0 | 0 | 110.2 | C331 S335 | C331-P333 WeakPolarHBondContact O-CD 3.35Å; P333-S335 PolarHBondContact O-N 3.14Å | ||
| 334 | K | 55.4 | Low | 55.8 | Low | 217 Ų | 217 | 109.7 Ų | 109.7 | 94% | 0.943 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 2.3 | 176.5 | -71.1 | -178.4 | 178.6 | 176.1 | 0 | 114.6 | T332 | T332-K334 PolarHBondContact O-N 3.22Š|
| 335 | S | 44.6 | Very low | 54.8 | Low | 104 Ų | 104 | 114.1 Ų | 114.1 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -1.1 | -170.6 | -171.9 | 0 | 0 | 0 | 0 | 115.4 | P333 | P333-S335 PolarHBondContact O-N 3.14Š|
| 336 | L | 46.6 | Very low | 53.6 | Low | 160 Ų | 160 | 112.8 Ų | 112.8 | 84% | 0.838 | 60% | 0.603 | S | S | * | * | trans | -121.8 | 65.6 | 178.2 | -89.4 | 144.2 | 0 | 0 | 0 | 111.5 | ||||
| 337 | A | 45.2 | Very low | 52.6 | Low | 84 Ų | 84 | 113.7 Ų | 113.7 | 69% | 0.694 | 61% | 0.609 | S | S | * | * | trans | -121.7 | 124 | 149.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 338 | P | 48.1 | Very low | 51.4 | Low | 119 Ų | 119 | 117 Ų | 117 | 77% | 0.773 | 62% | 0.621 | S | S | * | * | -133.6 | 151 | 64.6 | 33.3 | -15 | 0 | 0 | 0 | 111.9 | |||||
| 339 | I | 41.5 | Very low | 50.1 | Low | 149 Ų | 149 | 117.8 Ų | 117.8 | 76% | 0.764 | 63% | 0.63 | S | S | * | * | S | Bend | -165.5 | 140 | 75.8 | -77.6 | 158 | 0 | 0 | 0 | 107.3 | |||
| 340 | S | 45.3 | Very low | 48.7 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 49% | 0.49 | 64% | 0.638 | S | S | . | * | trans | 52.7 | 95.6 | 167.2 | -176 | 0 | 0 | 0 | 0 | 118.1 | S342 | S340-S342 PolarHBondContact O-N 2.81Š| ||
| 341 | S | 49.6 | Very low | 47.2 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -6.2 | 172.3 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 342 | S | 44.7 | Very low | 46 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -43.5 | -179.3 | -160 | 0 | 0 | 0 | 0 | 111.9 | S340 R344 K345 E346 | S340-S342 PolarHBondContact O-N 2.81Å; S342-R344 PolarHBondContact O-N 3.37Å; S342-K345 PolarHBondContact O-N 2.93Å; S342-E346 PolarHBondContact O-N 3.24Å |
| 343 | H | 42.2 | Very low | 44.4 | Very low | 117 Ų | 117 | 130 Ų | 130 | 54% | 0.542 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -71.2 | -31.8 | -173.7 | -137.1 | 64.6 | 0 | 0 | 0 | 113.1 | K345 E346 I347 | H343-K345 VanDerWaalsContact C-N 3.32Å; H343-K345 PolarHBondContact O-N 3.08Å; H343-E346 PolarHBondContact O-N 2.89Å; H343-I347 WeakPolarHBondContact O-CG1 3.29Å; H343-I347 PolarHBondContact O-N 3.15Å |
| 344 | R | 48.9 | Very low | 43.5 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.2 | -26 | 177.1 | -139.2 | -176.9 | -67.9 | -156.5 | 1.3 | 112.6 | S342 F348 | S342-R344 PolarHBondContact O-N 3.37Å; R344-F348 HydrophobicContact CG-CD2 4.49Å; R344-F348 WeakPolarHBondContact O-CB 3.17Å; R344-F348 WeakPolarHBondContact O-CD2 3.43Å; R344-F348 PolarHBondContact O-N 3.42Å |
| 345 | K | 44.7 | Very low | 42.9 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -77.1 | -35.8 | 173.7 | -75.5 | 178.7 | -179 | 172.6 | 0 | 111.7 | S342 H343 Q349 | S342-K345 PolarHBondContact O-N 2.93Å; H343-K345 VanDerWaalsContact C-N 3.32Å; H343-K345 PolarHBondContact O-N 3.08Å; K345-Q349 WeakPolarHBondContact O-CB 3.43Å; K345-Q349 VanDerWaalsContact O-CG 3.27Å; K345-Q349 WeakPolarHBondContact O-CG 3.34Å; K345-Q349 PolarHBondContact O-N 3.46Å |
| 346 | E | 42.1 | Very low | 42.8 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 49% | 0.486 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70.8 | -46.3 | 177 | -86.1 | 178.3 | 149.9 | 0 | 0 | 112.8 | S342 H343 F348 Q349 L350 | S342-E346 PolarHBondContact O-N 3.24Å; H343-E346 PolarHBondContact O-N 2.89Å; E346-F348 VanDerWaalsContact C-N 3.27Å; E346-F348 PolarHBondContact O-N 3.48Å; E346-Q349 PolarHBondContact O-N 3.31Å; E346-Q349 VanDerWaalsContact O-N 3.12Å; E346-L350 PolarHBondContact O-N 3.38Å |
| 347 | I | 46.9 | Very low | 42.6 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -62.5 | -37.1 | 178.1 | -66.1 | 171.4 | 0 | 0 | 0 | 110.9 | H343 L350 F351 | H343-I347 WeakPolarHBondContact O-CG1 3.29Å; H343-I347 PolarHBondContact O-N 3.15Å; I347-L350 PolarHBondContact O-N 3.03Å; I347-F351 PolarHBondContact O-N 3.13Å; I347-F351 VanDerWaalsContact O-N 3.08Å |
| 348 | F | 43.7 | Very low | 42.5 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 50% | 0.504 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76.2 | -31.2 | 174.2 | -90.7 | -93.7 | 0 | 0 | 0 | 113.3 | R344 E346 L350 F351 W352 | R344-F348 HydrophobicContact CG-CD2 4.49Å; R344-F348 WeakPolarHBondContact O-CB 3.17Å; R344-F348 WeakPolarHBondContact O-CD2 3.43Å; R344-F348 PolarHBondContact O-N 3.42Å; E346-F348 VanDerWaalsContact C-N 3.27Å; E346-F348 PolarHBondContact O-N 3.48Å; F348-L350 PolarHBondContact O-N 3.38Å; F348-F351 PolarHBondContact O-N 3.22Å; F348-W352 AromaticContact CD1-CD1 3.73Å; F348-W352 AromaticContact CD1-NE1 3.46Å; F348-W352 AromaticContact CE1-NE1 3.85Å; F348-W352 WeakPolarHBondContact O-CB 3.37Å; F348-W352 PolarHBondContact O-N 2.98Å |
| 349 | Q | 44.9 | Very low | 42.1 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66 | -30.3 | 171 | -81.9 | -178.2 | -0.4 | 0 | 0 | 112 | K345 E346 R353 | K345-Q349 WeakPolarHBondContact O-CB 3.43Å; K345-Q349 VanDerWaalsContact O-CG 3.27Å; K345-Q349 WeakPolarHBondContact O-CG 3.34Å; K345-Q349 PolarHBondContact O-N 3.46Å; E346-Q349 PolarHBondContact O-N 3.31Å; E346-Q349 VanDerWaalsContact O-N 3.12Å; Q349-R353 WeakPolarHBondContact O-CB 3.3Å |
| 350 | L | 41.6 | Very low | 42.2 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.8 | -39 | 174.3 | -83.6 | 152.3 | 0 | 0 | 0 | 112.9 | E346 I347 F348 W352 | E346-L350 PolarHBondContact O-N 3.38Å; I347-L350 PolarHBondContact O-N 3.03Å; F348-L350 PolarHBondContact O-N 3.38Å; L350-W352 VanDerWaalsContact C-N 3.32Å; L350-W352 PolarHBondContact O-N 2.9Å |
| 351 | F | 36.3 | Very low | 41.9 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.9 | -19.8 | 179.1 | -149.6 | -92.3 | 0 | 0 | 0 | 114 | I347 F348 | I347-F351 PolarHBondContact O-N 3.13Å; I347-F351 VanDerWaalsContact O-N 3.08Å; F348-F351 PolarHBondContact O-N 3.22Å |
| 352 | W | 39.3 | Very low | 41.3 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 53% | 0.534 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.9 | 13.1 | -174.6 | -71.5 | 89.6 | 0 | 0 | 0 | 114.4 | F348 L350 | F348-W352 AromaticContact CD1-CD1 3.73Å; F348-W352 AromaticContact CD1-NE1 3.46Å; F348-W352 AromaticContact CE1-NE1 3.85Å; F348-W352 WeakPolarHBondContact O-CB 3.37Å; F348-W352 PolarHBondContact O-N 2.98Å; L350-W352 VanDerWaalsContact C-N 3.32Å; L350-W352 PolarHBondContact O-N 2.9Å |
| 353 | R | 31.7 | Very low | 41.1 | Very low | 220 Ų | 220 | 147.8 Ų | 147.8 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | trans | -99.4 | -11.1 | 176.7 | -149.7 | 174.3 | -168.9 | -175.5 | 2.1 | 114.2 | Q349 | Q349-R353 WeakPolarHBondContact O-CB 3.3Š| ||
| 354 | N | 30.5 | Very low | 41 | Very low | 221 Ų | 221 | 150.5 Ų | 150.5 | 100% | 1.182 | 67% | 0.674 | S | S | * | * | trans | -97.1 | 0 | 170.3 | -78.3 | -1.4 | 0 | 0 | 0 | 111 |
Retrieved 354 of 354 residues in 768.8 ms
(Link to these results)